tert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(5-bromo-1-methylindole-3-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-(1H-indole-3-carbonylamino)-2-(1H-indol-3-yl)ethyl]carbamate

C73H76Br4N12O9 — CID 157341680

IUPACtert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(5-bromo-1-methylindole-3-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-(1H-indole-3-carbonylamino)-2-(1H-indol-3-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(NC(=O)c1c[nH]c2ccc(Br)cc12)c1c[nH]c2cc(Br)ccc12.CC(C)(C)OC(=O)NCC(NC(=O)c1c[nH]c2ccccc12)c1c[nH]c2ccccc12.Cn1cc(C(=O)NC(CNC(=O)OC(C)(C)C)c2c[nH]c3ccc(Br)cc23)c2cc(Br)ccc21
InChIInChI=1S/C25H26Br2N4O3.C24H24Br2N4O3.C24H26N4O3/c1-25(2,3)34-24(33)29-12-21(18-11-28-20-7-5-14(26)9-16(18)20)30-23(32)19-13-31(4)22-8-6-15(27)10-17(19)22;1-24(2,3)33-23(32)29-12-21(17-10-28-20-9-14(26)4-6-15(17)20)30-22(31)18-11-27-19-7-5-13(25)8-16(18)19;1-24(2,3)31-23(30)27-14-21(17-12-25-19-10-6-4-8-15(17)19)28-22(29)18-13-26-20-11-7-5-9-16(18)20/h5-11,13,21,28H,12H2,1-4H3,(H,29,33)(H,30,32);4-11,21,27-28H,12H2,1-3H3,(H,29,32)(H,30,31);4-13,21,25-26H,14H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyBGLWMNKSBDXRID-UHFFFAOYSA-N
MW1585.10 g/mol
LogP17.00
Rot. Bonds15

About tert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(5-bromo-1-methylindole-3-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-(1H-indole-3-carbonylamino)-2-(1H-indol-3-yl)ethyl]carbamate

tert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(5-bromo-1-methylindole-3-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-(1H-indole-3-carbonylamino)-2-(1H-indol-3-yl)ethyl]carbamate (PubChem CID 157341680) has the molecular formula C73H76Br4N12O9 and a molecular weight of 1585.10 g/mol. Its IUPAC name is tert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(5-bromo-1-methylindole-3-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-(1H-indole-3-carbonylamino)-2-(1H-indol-3-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(5-bromo-1-methylindole-3-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-(1H-indole-3-carbonylamino)-2-(1H-indol-3-yl)ethyl]carbamate
PubChem CID157341680
Molecular FormulaC73H76Br4N12O9
Molecular Weight1585.10 g/mol
Exact Mass1580.26
IUPAC Nametert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(5-bromo-1-methylindole-3-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-(1H-indole-3-carbonylamino)-2-(1H-indol-3-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(NC(=O)c1c[nH]c2ccc(Br)cc12)c1c[nH]c2cc(Br)ccc12.CC(C)(C)OC(=O)NCC(NC(=O)c1c[nH]c2ccccc12)c1c[nH]c2ccccc12.Cn1cc(C(=O)NC(CNC(=O)OC(C)(C)C)c2c[nH]c3ccc(Br)cc23)c2cc(Br)ccc21
InChIInChI=1S/C25H26Br2N4O3.C24H24Br2N4O3.C24H26N4O3/c1-25(2,3)34-24(33)29-12-21(18-11-28-20-7-5-14(26)9-16(18)20)30-23(32)19-13-31(4)22-8-6-15(27)10-17(19)22;1-24(2,3)33-23(32)29-12-21(17-10-28-20-9-14(26)4-6-15(17)20)30-22(31)18-11-27-19-7-5-13(25)8-16(18)19;1-24(2,3)31-23(30)27-14-21(17-12-25-19-10-6-4-8-15(17)19)28-22(29)18-13-26-20-11-7-5-9-16(18)20/h5-11,13,21,28H,12H2,1-4H3,(H,29,33)(H,30,32);4-11,21,27-28H,12H2,1-3H3,(H,29,32)(H,30,31);4-13,21,25-26H,14H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyBGLWMNKSBDXRID-UHFFFAOYSA-N
XLogP17.00
TPSA286.17 Ų
H-Bond Donors11
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001585.10
LogP ≤ 517.00
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze tert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(5-bromo-1-methylindole-3-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-(1H-indole-3-carbonylamino)-2-(1H-indol-3-yl)ethyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate
CID 71231499
tert-butyl N-[2-benzamido-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[[2-(4-bromophenyl)acetyl]amino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-(pyridine-3-carbonylamino)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate
CID 158851409
4-(5-bromo-1H-indol-3-yl)-1-(4-bromophenyl)hexan-2-one;3-(5-bromo-1H-indol-3-yl)-1-phenylpentan-1-one;3-(5-bromo-1H-indol-3-yl)-1-pyridin-3-ylpentan-1-one;4-(5-bromo-1H-indol-3-yl)-1,1,1-trifluorohexan-2-one
CID 160264377
tert-butyl N-[(1R)-1-(1-acetyl-6-bromoindol-3-yl)-2-[[2-(1-acetyl-6-bromoindol-3-yl)-2-oxoacetyl]amino]ethyl]carbamate
CID 134972255
tert-butyl N-[(3S)-5-bromo-3-(5-bromo-1-methylindol-3-yl)-1-methyl-2-oxoindol-3-yl]carbamate
CID 139182666
bis(acetonitrile);bis(tert-butyl 6-bromo-3-[(1S,2S)-3-(6-bromo-1H-indol-3-yl)-1-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-1-carboxylate)
CID 168334913
tert-butyl N-[3-[[2-(6-bromo-1H-indol-3-yl)-2-oxo-acetyl]amino]propyl]-N-[8-[3-[[2-(6-bromo-1H-indol-3-yl)-2-oxo-acetyl]amino]propyl-tert-butoxycarbonyl-amino]octyl]carbamate
CID 129905645
5-bromo-1H-indole-7-carboxamide;tert-butyl 7-[bis[(2-methylpropan-2-yl)oxycarbonyl]carbamoyl]-5-bromoindole-1-carboxylate
CID 69576386
tert-butyl 3-(5-bromo-1H-indol-3-yl)-4-[2-(5-bromo-1H-indol-3-yl)-2-oxoacetyl]piperazine-1-carboxylate
CID 71231094
tert-butyl N-[2-[[2-(6-bromo-1H-indol-3-yl)-2-oxoacetyl]amino]-2-(1H-indol-3-yl)ethyl]carbamate
CID 71231098
tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[[2-(5-bromo-1H-indol-3-yl)-2-oxoacetyl]amino]ethyl]carbamate
CID 71231099
tert-butyl N-[2-(6-bromo-1H-indol-3-yl)-2-(1H-indole-3-carbonylamino)ethyl]carbamate
CID 71231501

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(5-bromo-1-methylindole-3-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-(1H-indole-3-carbonylamino)-2-(1H-indol-3-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(5-bromo-1-methylindole-3-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-(1H-indole-3-carbonylamino)-2-(1H-indol-3-yl)ethyl]carbamate (CID 157341680) is tert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(5-bromo-1-methylindole-3-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-(1H-indole-3-carbonylamino)-2-(1H-indol-3-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(5-bromo-1-methylindole-3-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-(1H-indole-3-carbonylamino)-2-(1H-indol-3-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(5-bromo-1-methylindole-3-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-(1H-indole-3-carbonylamino)-2-(1H-indol-3-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCC(NC(=O)c1c[nH]c2ccc(Br)cc12)c1c[nH]c2cc(Br)ccc12.CC(C)(C)OC(=O)NCC(NC(=O)c1c[nH]c2ccccc12)c1c[nH]c2ccccc12.Cn1cc(C(=O)NC(CNC(=O)OC(C)(C)C)c2c[nH]c3ccc(Br)cc23)c2cc(Br)ccc21.
What is the InChIKey of tert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(5-bromo-1-methylindole-3-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-(1H-indole-3-carbonylamino)-2-(1H-indol-3-yl)ethyl]carbamate?
The InChIKey is BGLWMNKSBDXRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26Br2N4O3.C24H24Br2N4O3.C24H26N4O3/c1-25(2,3)34-24(33)29-12-21(18-11-28-20-7-5-14(26)9-16(18)20)30-23(32)19-13-31(4)22-8-6-15(27)10-17(19)22;1-24(2,3)33-23(32)29-12-21(17-10-28-20-9-14(26)4-6-15(17)20)30-22(31)18-11-27-19-7-5-13(25)8-16(18)19;1-24(2,3)31-23(30)27-14-21(17-12-25-19-10-6-4-8-15(17)19)28-22(29)18-13-26-20-11-7-5-9-16(18)20/h5-11,13,21,28H,12H2,1-4H3,(H,29,33)(H,30,32);4-11,21,27-28H,12H2,1-3H3,(H,29,32)(H,30,31);4-13,21,25-26H,14H2,1-3H3,(H,27,30)(H,28,29).
What are the key properties of tert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(5-bromo-1-methylindole-3-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-(1H-indole-3-carbonylamino)-2-(1H-indol-3-yl)ethyl]carbamate?
tert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(5-bromo-1-methylindole-3-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-(1H-indole-3-carbonylamino)-2-(1H-indol-3-yl)ethyl]carbamate has a molecular weight of 1585.10 g/mol, XLogP of 17.00, 15 rotatable bonds, 11 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(5-bromo-1-methylindole-3-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-(1H-indole-3-carbonylamino)-2-(1H-indol-3-yl)ethyl]carbamate is sourced from PubChem (CID 157341680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).