2-[(2,2-diphenylacetyl)amino]-N-(9-ethylcarbazol-3-yl)-3-phenylpropanamide

C37H33N3O2 — CID 4317269

IUPAC2-[(2,2-diphenylacetyl)amino]-N-(9-ethylcarbazol-3-yl)-3-phenylpropanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)C(Cc3ccccc3)NC(=O)C(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C37H33N3O2/c1-2-40-33-21-13-12-20-30(33)31-25-29(22-23-34(31)40)38-36(41)32(24-26-14-6-3-7-15-26)39-37(42)35(27-16-8-4-9-17-27)28-18-10-5-11-19-28/h3-23,25,32,35H,2,24H2,1H3,(H,38,41)(H,39,42)
InChIKeySEAXXUXNEUGCCA-UHFFFAOYSA-N
MW551.69 g/mol
LogP7.31
Rot. Bonds9

About 2-[(2,2-diphenylacetyl)amino]-N-(9-ethylcarbazol-3-yl)-3-phenylpropanamide

2-[(2,2-diphenylacetyl)amino]-N-(9-ethylcarbazol-3-yl)-3-phenylpropanamide (PubChem CID 4317269) has the molecular formula C37H33N3O2 and a molecular weight of 551.69 g/mol. Its IUPAC name is 2-[(2,2-diphenylacetyl)amino]-N-(9-ethylcarbazol-3-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-[(2,2-diphenylacetyl)amino]-N-(9-ethylcarbazol-3-yl)-3-phenylpropanamide
PubChem CID4317269
Molecular FormulaC37H33N3O2
Molecular Weight551.69 g/mol
Exact Mass551.26
IUPAC Name2-[(2,2-diphenylacetyl)amino]-N-(9-ethylcarbazol-3-yl)-3-phenylpropanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)C(Cc3ccccc3)NC(=O)C(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C37H33N3O2/c1-2-40-33-21-13-12-20-30(33)31-25-29(22-23-34(31)40)38-36(41)32(24-26-14-6-3-7-15-26)39-37(42)35(27-16-8-4-9-17-27)28-18-10-5-11-19-28/h3-23,25,32,35H,2,24H2,1H3,(H,38,41)(H,39,42)
InChIKeySEAXXUXNEUGCCA-UHFFFAOYSA-N
XLogP7.31
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.69
LogP ≤ 57.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(2,2-diphenylacetyl)amino]-N-(9-ethylcarbazol-3-yl)-3-phenylpropanamide 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

N-(9-ethylcarbazol-3-yl)-2-methyl-3-pyridin-4-ylpropanamide
CID 70240283
(2S)-2-benzylsulfanyl-N-(9-ethylcarbazol-3-yl)propanamide
CID 124582604
N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide
CID 54424608
phenyl N-(9-ethylcarbazol-3-yl)carbamate
CID 2182675
(2R)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(9-ethylcarbazol-3-yl)propanamide
CID 40689904
(2R)-2-(4-aza-1-azoniabicyclo[2.2.2]octan-1-yl)-N-(9-ethylcarbazol-3-yl)propanamide
CID 2546572
N-(9-ethylcarbazol-3-yl)-2-(4-ethylpiperazin-1-yl)propanamide
CID 42911814
3-(4-benzylpiperidin-1-yl)-N-(9-ethylcarbazol-3-yl)propanamide
CID 22458815
5-[(9-ethylcarbazol-3-yl)amino]-5-oxopentanoic acid
CID 3498432
(2R)-N-(9-ethylcarbazol-3-yl)-2-(4-methylphenoxy)propanamide
CID 1019882
(2R)-N-(9-ethylcarbazol-3-yl)-2-(2-methylpyridin-1-ium-1-yl)propanamide
CID 8717773
1-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119907109

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-diphenylacetyl)amino]-N-(9-ethylcarbazol-3-yl)-3-phenylpropanamide?
The IUPAC name of 2-[(2,2-diphenylacetyl)amino]-N-(9-ethylcarbazol-3-yl)-3-phenylpropanamide (CID 4317269) is 2-[(2,2-diphenylacetyl)amino]-N-(9-ethylcarbazol-3-yl)-3-phenylpropanamide.
What is the SMILES notation for 2-[(2,2-diphenylacetyl)amino]-N-(9-ethylcarbazol-3-yl)-3-phenylpropanamide?
The canonical SMILES for 2-[(2,2-diphenylacetyl)amino]-N-(9-ethylcarbazol-3-yl)-3-phenylpropanamide is CCn1c2ccccc2c2cc(NC(=O)C(Cc3ccccc3)NC(=O)C(c3ccccc3)c3ccccc3)ccc21.
What is the InChIKey of 2-[(2,2-diphenylacetyl)amino]-N-(9-ethylcarbazol-3-yl)-3-phenylpropanamide?
The InChIKey is SEAXXUXNEUGCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H33N3O2/c1-2-40-33-21-13-12-20-30(33)31-25-29(22-23-34(31)40)38-36(41)32(24-26-14-6-3-7-15-26)39-37(42)35(27-16-8-4-9-17-27)28-18-10-5-11-19-28/h3-23,25,32,35H,2,24H2,1H3,(H,38,41)(H,39,42).
What are the key properties of 2-[(2,2-diphenylacetyl)amino]-N-(9-ethylcarbazol-3-yl)-3-phenylpropanamide?
2-[(2,2-diphenylacetyl)amino]-N-(9-ethylcarbazol-3-yl)-3-phenylpropanamide has a molecular weight of 551.69 g/mol, XLogP of 7.31, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-diphenylacetyl)amino]-N-(9-ethylcarbazol-3-yl)-3-phenylpropanamide is sourced from PubChem (CID 4317269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).