tert-butyl N-[3-[(5-benzoyl-3H-indol-2-yl)amino]-3-oxopropyl]carbamate

C23H25N3O4 — CID 147440209

IUPACtert-butyl N-[3-[(5-benzoyl-3H-indol-2-yl)amino]-3-oxopropyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(=O)NC1=Nc2ccc(C(=O)c3ccccc3)cc2C1
InChIInChI=1S/C23H25N3O4/c1-23(2,3)30-22(29)24-12-11-20(27)26-19-14-17-13-16(9-10-18(17)25-19)21(28)15-7-5-4-6-8-15/h4-10,13H,11-12,14H2,1-3H3,(H,24,29)(H,25,26,27)
InChIKeyDWBQCXZTKKYCKN-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.53
Rot. Bonds5

About tert-butyl N-[3-[(5-benzoyl-3H-indol-2-yl)amino]-3-oxopropyl]carbamate

tert-butyl N-[3-[(5-benzoyl-3H-indol-2-yl)amino]-3-oxopropyl]carbamate (PubChem CID 147440209) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is tert-butyl N-[3-[(5-benzoyl-3H-indol-2-yl)amino]-3-oxopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(5-benzoyl-3H-indol-2-yl)amino]-3-oxopropyl]carbamate
PubChem CID147440209
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Nametert-butyl N-[3-[(5-benzoyl-3H-indol-2-yl)amino]-3-oxopropyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(=O)NC1=Nc2ccc(C(=O)c3ccccc3)cc2C1
InChIInChI=1S/C23H25N3O4/c1-23(2,3)30-22(29)24-12-11-20(27)26-19-14-17-13-16(9-10-18(17)25-19)21(28)15-7-5-4-6-8-15/h4-10,13H,11-12,14H2,1-3H3,(H,24,29)(H,25,26,27)
InChIKeyDWBQCXZTKKYCKN-UHFFFAOYSA-N
XLogP3.53
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzene-1,2-diamine;tert-butyl N-[3-(2-aminoanilino)-3-oxopropyl]carbamate
CID 162109745
tert-butyl N-[3-(4-anilinoanilino)-3-oxopropyl]carbamate
CID 29265817
tert-butyl N-[3-oxo-3-[2-[(4-phenylbenzoyl)amino]anilino]propyl]carbamate
CID 108920192
tert-butyl N-(3H-indol-2-ylmethyl)carbamate
CID 158414573
tert-butyl N-[3-(3-benzamidopropylamino)-3-oxopropyl]carbamate
CID 108921630
tert-butyl N-[3-[3-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]anilino]-3-oxopropyl]carbamate
CID 108920034
tert-butyl N-[3-[2-[(4-fluorobenzoyl)amino]anilino]-3-oxopropyl]carbamate
CID 108920191
tert-butyl N-[(5-chloro-3H-indol-2-yl)methyl]carbamate
CID 157342432
tert-butyl N-[3-oxo-3-[2-(3-phenoxypropanoylamino)anilino]propyl]carbamate
CID 108920262
tert-butyl N-[3-oxo-3-[(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)amino]propyl]carbamate
CID 122159001
tert-butyl N-[3-[4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]anilino]-3-oxopropyl]carbamate
CID 108919874
tert-butyl N-[3-oxo-3-[2-[(2,2,2-trifluoroacetyl)amino]anilino]propyl]carbamate
CID 108920183

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(5-benzoyl-3H-indol-2-yl)amino]-3-oxopropyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(5-benzoyl-3H-indol-2-yl)amino]-3-oxopropyl]carbamate (CID 147440209) is tert-butyl N-[3-[(5-benzoyl-3H-indol-2-yl)amino]-3-oxopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(5-benzoyl-3H-indol-2-yl)amino]-3-oxopropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(5-benzoyl-3H-indol-2-yl)amino]-3-oxopropyl]carbamate is CC(C)(C)OC(=O)NCCC(=O)NC1=Nc2ccc(C(=O)c3ccccc3)cc2C1.
What is the InChIKey of tert-butyl N-[3-[(5-benzoyl-3H-indol-2-yl)amino]-3-oxopropyl]carbamate?
The InChIKey is DWBQCXZTKKYCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-23(2,3)30-22(29)24-12-11-20(27)26-19-14-17-13-16(9-10-18(17)25-19)21(28)15-7-5-4-6-8-15/h4-10,13H,11-12,14H2,1-3H3,(H,24,29)(H,25,26,27).
What are the key properties of tert-butyl N-[3-[(5-benzoyl-3H-indol-2-yl)amino]-3-oxopropyl]carbamate?
tert-butyl N-[3-[(5-benzoyl-3H-indol-2-yl)amino]-3-oxopropyl]carbamate has a molecular weight of 407.47 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(5-benzoyl-3H-indol-2-yl)amino]-3-oxopropyl]carbamate is sourced from PubChem (CID 147440209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).