N-[3-amino-1-(1H-indol-3-yl)-3-oxopropyl]-N-[(3,5-dimethylphenyl)methyl]benzamide

C27H27N3O2 — CID 67827775

IUPACN-[3-amino-1-(1H-indol-3-yl)-3-oxopropyl]-N-[(3,5-dimethylphenyl)methyl]benzamide
SMILESCc1cc(C)cc(CN(C(=O)c2ccccc2)C(CC(N)=O)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C27H27N3O2/c1-18-12-19(2)14-20(13-18)17-30(27(32)21-8-4-3-5-9-21)25(15-26(28)31)23-16-29-24-11-7-6-10-22(23)24/h3-14,16,25,29H,15,17H2,1-2H3,(H2,28,31)
InChIKeyYHWOTMNURIXFEI-UHFFFAOYSA-N
MW425.53 g/mol
LogP5.04
Rot. Bonds7

About N-[3-amino-1-(1H-indol-3-yl)-3-oxopropyl]-N-[(3,5-dimethylphenyl)methyl]benzamide

N-[3-amino-1-(1H-indol-3-yl)-3-oxopropyl]-N-[(3,5-dimethylphenyl)methyl]benzamide (PubChem CID 67827775) has the molecular formula C27H27N3O2 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-[3-amino-1-(1H-indol-3-yl)-3-oxopropyl]-N-[(3,5-dimethylphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-[3-amino-1-(1H-indol-3-yl)-3-oxopropyl]-N-[(3,5-dimethylphenyl)methyl]benzamide
PubChem CID67827775
Molecular FormulaC27H27N3O2
Molecular Weight425.53 g/mol
Exact Mass425.21
IUPAC NameN-[3-amino-1-(1H-indol-3-yl)-3-oxopropyl]-N-[(3,5-dimethylphenyl)methyl]benzamide
SMILESCc1cc(C)cc(CN(C(=O)c2ccccc2)C(CC(N)=O)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C27H27N3O2/c1-18-12-19(2)14-20(13-18)17-30(27(32)21-8-4-3-5-9-21)25(15-26(28)31)23-16-29-24-11-7-6-10-22(23)24/h3-14,16,25,29H,15,17H2,1-2H3,(H2,28,31)
InChIKeyYHWOTMNURIXFEI-UHFFFAOYSA-N
XLogP5.04
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[3-amino-1-(1H-indol-3-yl)-3-oxopropyl]-N-[(3,5-dimethylphenyl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-(1H-indol-3-yl)-4-methylpentanamide
CID 98241929
ethyl 3-amino-2-(1H-indol-3-yl)-3-oxopropanoate
CID 67232223
(2R)-2-(1H-indol-3-yl)-4-(4-methylphenyl)-4-oxobutanoic acid
CID 927890
N-benzyl-3-(1H-indol-3-yl)-3-(4-methylphenyl)propanamide
CID 46131344
N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-3,4,5-trimethoxybenzamide
CID 35342946
4-(dimethylamino)-4-(1H-indol-3-yl)-2-methylbutanoic acid
CID 116908267
4-(2,5-dimethylphenyl)-2-(1H-indol-3-yl)-4-oxobutanoic acid
CID 13077495
(2S)-2-(N-[(2S)-2-[(3,5-dimethylbenzoyl)-methylamino]propanoyl]-3,5-dimethylanilino)-3-(1H-indol-3-yl)propanoic acid
CID 18663510
benzyl (5R)-5-[(3,5-dimethylbenzoyl)-methylamino]-2-(1H-indol-3-ylmethyl)-4-oxo-6-(4-phenylphenyl)hexanoate
CID 154442880
N-ethoxy-3-(1H-indol-3-yl)-3-(3-methylphenyl)propanamide
CID 3537942
(3R)-3-(1H-indol-3-yl)-3-naphthalen-2-yl-1-phenylpropan-1-one
CID 139224809
N-[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-benzoylamino]-1-oxo-3-(4-thiophen-3-ylphenyl)propan-2-yl]-N,3,5-trimethylbenzamide
CID 70093660

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-1-(1H-indol-3-yl)-3-oxopropyl]-N-[(3,5-dimethylphenyl)methyl]benzamide?
The IUPAC name of N-[3-amino-1-(1H-indol-3-yl)-3-oxopropyl]-N-[(3,5-dimethylphenyl)methyl]benzamide (CID 67827775) is N-[3-amino-1-(1H-indol-3-yl)-3-oxopropyl]-N-[(3,5-dimethylphenyl)methyl]benzamide.
What is the SMILES notation for N-[3-amino-1-(1H-indol-3-yl)-3-oxopropyl]-N-[(3,5-dimethylphenyl)methyl]benzamide?
The canonical SMILES for N-[3-amino-1-(1H-indol-3-yl)-3-oxopropyl]-N-[(3,5-dimethylphenyl)methyl]benzamide is Cc1cc(C)cc(CN(C(=O)c2ccccc2)C(CC(N)=O)c2c[nH]c3ccccc23)c1.
What is the InChIKey of N-[3-amino-1-(1H-indol-3-yl)-3-oxopropyl]-N-[(3,5-dimethylphenyl)methyl]benzamide?
The InChIKey is YHWOTMNURIXFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O2/c1-18-12-19(2)14-20(13-18)17-30(27(32)21-8-4-3-5-9-21)25(15-26(28)31)23-16-29-24-11-7-6-10-22(23)24/h3-14,16,25,29H,15,17H2,1-2H3,(H2,28,31).
What are the key properties of N-[3-amino-1-(1H-indol-3-yl)-3-oxopropyl]-N-[(3,5-dimethylphenyl)methyl]benzamide?
N-[3-amino-1-(1H-indol-3-yl)-3-oxopropyl]-N-[(3,5-dimethylphenyl)methyl]benzamide has a molecular weight of 425.53 g/mol, XLogP of 5.04, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-1-(1H-indol-3-yl)-3-oxopropyl]-N-[(3,5-dimethylphenyl)methyl]benzamide is sourced from PubChem (CID 67827775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).