decan-2-yl N-[1-[(1,3-dihydroxy-1-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-2-methylpropan-2-yl]carbamate

C32H47N3O4 — CID 19384641

IUPACdecan-2-yl N-[1-[(1,3-dihydroxy-1-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-2-methylpropan-2-yl]carbamate
SMILESCCCCCCCCC(C)OC(=O)NC(C)(CNC(CO)C(O)c1ccccc1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C32H47N3O4/c1-4-5-6-7-8-10-15-24(2)39-31(38)35-32(3,20-26-21-33-28-19-14-13-18-27(26)28)23-34-29(22-36)30(37)25-16-11-9-12-17-25/h9,11-14,16-19,21,24,29-30,33-34,36-37H,4-8,10,15,20,22-23H2,1-3H3,(H,35,38)
InChIKeyDWIIXXXWOAFDHI-UHFFFAOYSA-N
MW537.75 g/mol
LogP6.02
Rot. Bonds17

About decan-2-yl N-[1-[(1,3-dihydroxy-1-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-2-methylpropan-2-yl]carbamate

decan-2-yl N-[1-[(1,3-dihydroxy-1-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-2-methylpropan-2-yl]carbamate (PubChem CID 19384641) has the molecular formula C32H47N3O4 and a molecular weight of 537.75 g/mol. Its IUPAC name is decan-2-yl N-[1-[(1,3-dihydroxy-1-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-2-methylpropan-2-yl]carbamate.

Molecular Properties

Compound Namedecan-2-yl N-[1-[(1,3-dihydroxy-1-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-2-methylpropan-2-yl]carbamate
PubChem CID19384641
Molecular FormulaC32H47N3O4
Molecular Weight537.75 g/mol
Exact Mass537.36
IUPAC Namedecan-2-yl N-[1-[(1,3-dihydroxy-1-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-2-methylpropan-2-yl]carbamate
SMILESCCCCCCCCC(C)OC(=O)NC(C)(CNC(CO)C(O)c1ccccc1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C32H47N3O4/c1-4-5-6-7-8-10-15-24(2)39-31(38)35-32(3,20-26-21-33-28-19-14-13-18-27(26)28)23-34-29(22-36)30(37)25-16-11-9-12-17-25/h9,11-14,16-19,21,24,29-30,33-34,36-37H,4-8,10,15,20,22-23H2,1-3H3,(H,35,38)
InChIKeyDWIIXXXWOAFDHI-UHFFFAOYSA-N
XLogP6.02
TPSA106.61 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.75
LogP ≤ 56.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[1-[(2-hydroxy-2-phenylethyl)amino]-3-(1H-indol-3-yl)-2-methylpropan-2-yl]carbamic acid
CID 150605299
[1-[(4-hydroxy-1-phenylbutan-2-yl)amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl] N-decan-2-ylcarbamate
CID 67828397
(2-methyl-1-phenylpropyl) N-[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]carbamate
CID 10577242
(2R)-2-(ethoxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoic acid
CID 10017089
N-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]pentanamide
CID 113086286
2-(1H-indol-3-ylmethylamino)propanoic acid
CID 62324113
2-hydroxy-N-[2-(1H-indol-3-yl)ethyl]pentadecanamide
CID 90754390
ethyl (2S)-5-(1H-indol-3-yl)-2-(1-phenylethylamino)pentanoate
CID 57005985
1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-pentoxypropan-2-ol
CID 70500153
2-amino-2-(1H-indol-3-ylmethyl)octanoic acid;dihydrochloride
CID 174428555
3-(2,4-dimethyl-2-propyloctyl)-1H-indole
CID 67807643
3-(2,2-dimethylhexyl)-1H-indole
CID 70819800

Frequently Asked Questions

What is the IUPAC name of decan-2-yl N-[1-[(1,3-dihydroxy-1-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-2-methylpropan-2-yl]carbamate?
The IUPAC name of decan-2-yl N-[1-[(1,3-dihydroxy-1-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-2-methylpropan-2-yl]carbamate (CID 19384641) is decan-2-yl N-[1-[(1,3-dihydroxy-1-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-2-methylpropan-2-yl]carbamate.
What is the SMILES notation for decan-2-yl N-[1-[(1,3-dihydroxy-1-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-2-methylpropan-2-yl]carbamate?
The canonical SMILES for decan-2-yl N-[1-[(1,3-dihydroxy-1-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-2-methylpropan-2-yl]carbamate is CCCCCCCCC(C)OC(=O)NC(C)(CNC(CO)C(O)c1ccccc1)Cc1c[nH]c2ccccc12.
What is the InChIKey of decan-2-yl N-[1-[(1,3-dihydroxy-1-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-2-methylpropan-2-yl]carbamate?
The InChIKey is DWIIXXXWOAFDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H47N3O4/c1-4-5-6-7-8-10-15-24(2)39-31(38)35-32(3,20-26-21-33-28-19-14-13-18-27(26)28)23-34-29(22-36)30(37)25-16-11-9-12-17-25/h9,11-14,16-19,21,24,29-30,33-34,36-37H,4-8,10,15,20,22-23H2,1-3H3,(H,35,38).
What are the key properties of decan-2-yl N-[1-[(1,3-dihydroxy-1-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-2-methylpropan-2-yl]carbamate?
decan-2-yl N-[1-[(1,3-dihydroxy-1-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-2-methylpropan-2-yl]carbamate has a molecular weight of 537.75 g/mol, XLogP of 6.02, 17 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for decan-2-yl N-[1-[(1,3-dihydroxy-1-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-2-methylpropan-2-yl]carbamate is sourced from PubChem (CID 19384641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).