3-(aminomethyl)-N-[(1S)-2-oxo-1-phenyl-2-[[1-(2-phenylacetyl)-2,3-dihydroindol-6-yl]amino]ethyl]benzamide

C32H30N4O3 — CID 10189485

IUPAC3-(aminomethyl)-N-[(1S)-2-oxo-1-phenyl-2-[[1-(2-phenylacetyl)-2,3-dihydroindol-6-yl]amino]ethyl]benzamide
SMILESNCc1cccc(C(=O)N[C@H](C(=O)Nc2ccc3c(c2)N(C(=O)Cc2ccccc2)CC3)c2ccccc2)c1
InChIInChI=1S/C32H30N4O3/c33-21-23-10-7-13-26(18-23)31(38)35-30(25-11-5-2-6-12-25)32(39)34-27-15-14-24-16-17-36(28(24)20-27)29(37)19-22-8-3-1-4-9-22/h1-15,18,20,30H,16-17,19,21,33H2,(H,34,39)(H,35,38)/t30-/m0/s1
InChIKeyWYJXBFQLKGRGDU-PMERELPUSA-N
MW518.62 g/mol
LogP4.39
Rot. Bonds8

About 3-(aminomethyl)-N-[(1S)-2-oxo-1-phenyl-2-[[1-(2-phenylacetyl)-2,3-dihydroindol-6-yl]amino]ethyl]benzamide

3-(aminomethyl)-N-[(1S)-2-oxo-1-phenyl-2-[[1-(2-phenylacetyl)-2,3-dihydroindol-6-yl]amino]ethyl]benzamide (PubChem CID 10189485) has the molecular formula C32H30N4O3 and a molecular weight of 518.62 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[(1S)-2-oxo-1-phenyl-2-[[1-(2-phenylacetyl)-2,3-dihydroindol-6-yl]amino]ethyl]benzamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[(1S)-2-oxo-1-phenyl-2-[[1-(2-phenylacetyl)-2,3-dihydroindol-6-yl]amino]ethyl]benzamide
PubChem CID10189485
Molecular FormulaC32H30N4O3
Molecular Weight518.62 g/mol
Exact Mass518.23
IUPAC Name3-(aminomethyl)-N-[(1S)-2-oxo-1-phenyl-2-[[1-(2-phenylacetyl)-2,3-dihydroindol-6-yl]amino]ethyl]benzamide
SMILESNCc1cccc(C(=O)N[C@H](C(=O)Nc2ccc3c(c2)N(C(=O)Cc2ccccc2)CC3)c2ccccc2)c1
InChIInChI=1S/C32H30N4O3/c33-21-23-10-7-13-26(18-23)31(38)35-30(25-11-5-2-6-12-25)32(39)34-27-15-14-24-16-17-36(28(24)20-27)29(37)19-22-8-3-1-4-9-22/h1-15,18,20,30H,16-17,19,21,33H2,(H,34,39)(H,35,38)/t30-/m0/s1
InChIKeyWYJXBFQLKGRGDU-PMERELPUSA-N
XLogP4.39
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.62
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(aminomethyl)-N-[(1S)-2-oxo-1-phenyl-2-[[1-(2-phenylacetyl)-2,3-dihydroindol-6-yl]amino]ethyl]benzamide with MolForge

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Related Compounds

2-[3-(aminomethyl)anilino]-N-[4-ethyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylacetamide
CID 69337781
N-[2-oxo-1-phenyl-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]benzamide
CID 55599784
1-[6-[(1-methyltriazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]-2-phenylethanone
CID 125419700
3-bromo-N-[(1S)-2-[4-(hydroxycarbamoyl)anilino]-2-oxo-1-phenylethyl]benzamide
CID 171346842
2-(benzenesulfonamido)-2-phenyl-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)acetamide
CID 139016612
3-[2-(5,6-difluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]benzoic acid
CID 167824242
1-(2-aminoacetyl)-2,3-dihydroindole-6-carboxamide;2-(N-[3-(aminomethyl)benzoyl]anilino)acetic acid;hydrochloride
CID 69369169
1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-phenylurea
CID 46384404
3-bromo-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]benzamide
CID 94157840
ethyl 4-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]anilino]-2,3-dihydroxy-4-oxobutanoate
CID 167784622
3-hydroxy-N-[1-[2-(3-methoxyphenyl)acetyl]-2,3-dihydroindol-6-yl]-4-nitrobenzamide
CID 146123118
2-[2-(aminomethyl)phenyl]-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103495285

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[(1S)-2-oxo-1-phenyl-2-[[1-(2-phenylacetyl)-2,3-dihydroindol-6-yl]amino]ethyl]benzamide?
The IUPAC name of 3-(aminomethyl)-N-[(1S)-2-oxo-1-phenyl-2-[[1-(2-phenylacetyl)-2,3-dihydroindol-6-yl]amino]ethyl]benzamide (CID 10189485) is 3-(aminomethyl)-N-[(1S)-2-oxo-1-phenyl-2-[[1-(2-phenylacetyl)-2,3-dihydroindol-6-yl]amino]ethyl]benzamide.
What is the SMILES notation for 3-(aminomethyl)-N-[(1S)-2-oxo-1-phenyl-2-[[1-(2-phenylacetyl)-2,3-dihydroindol-6-yl]amino]ethyl]benzamide?
The canonical SMILES for 3-(aminomethyl)-N-[(1S)-2-oxo-1-phenyl-2-[[1-(2-phenylacetyl)-2,3-dihydroindol-6-yl]amino]ethyl]benzamide is NCc1cccc(C(=O)N[C@H](C(=O)Nc2ccc3c(c2)N(C(=O)Cc2ccccc2)CC3)c2ccccc2)c1.
What is the InChIKey of 3-(aminomethyl)-N-[(1S)-2-oxo-1-phenyl-2-[[1-(2-phenylacetyl)-2,3-dihydroindol-6-yl]amino]ethyl]benzamide?
The InChIKey is WYJXBFQLKGRGDU-PMERELPUSA-N. The full InChI is InChI=1S/C32H30N4O3/c33-21-23-10-7-13-26(18-23)31(38)35-30(25-11-5-2-6-12-25)32(39)34-27-15-14-24-16-17-36(28(24)20-27)29(37)19-22-8-3-1-4-9-22/h1-15,18,20,30H,16-17,19,21,33H2,(H,34,39)(H,35,38)/t30-/m0/s1.
What are the key properties of 3-(aminomethyl)-N-[(1S)-2-oxo-1-phenyl-2-[[1-(2-phenylacetyl)-2,3-dihydroindol-6-yl]amino]ethyl]benzamide?
3-(aminomethyl)-N-[(1S)-2-oxo-1-phenyl-2-[[1-(2-phenylacetyl)-2,3-dihydroindol-6-yl]amino]ethyl]benzamide has a molecular weight of 518.62 g/mol, XLogP of 4.39, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[(1S)-2-oxo-1-phenyl-2-[[1-(2-phenylacetyl)-2,3-dihydroindol-6-yl]amino]ethyl]benzamide is sourced from PubChem (CID 10189485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).