N-cyclohexyl-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanamide

C29H32N2O2 — CID 3523242

IUPACN-cyclohexyl-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanamide
SMILESO=C(NC1CCCCC1)C(Cc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H32N2O2/c32-28(30-25-19-11-4-12-20-25)26(21-22-13-5-1-6-14-22)31-29(33)27(23-15-7-2-8-16-23)24-17-9-3-10-18-24/h1-3,5-10,13-18,25-27H,4,11-12,19-21H2,(H,30,32)(H,31,33)
InChIKeyVGBRODJKNJDXLD-UHFFFAOYSA-N
MW440.59 g/mol
LogP4.99
Rot. Bonds8

About N-cyclohexyl-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanamide

N-cyclohexyl-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanamide (PubChem CID 3523242) has the molecular formula C29H32N2O2 and a molecular weight of 440.59 g/mol. Its IUPAC name is N-cyclohexyl-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanamide
PubChem CID3523242
Molecular FormulaC29H32N2O2
Molecular Weight440.59 g/mol
Exact Mass440.25
IUPAC NameN-cyclohexyl-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanamide
SMILESO=C(NC1CCCCC1)C(Cc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H32N2O2/c32-28(30-25-19-11-4-12-20-25)26(21-22-13-5-1-6-14-22)31-29(33)27(23-15-7-2-8-16-23)24-17-9-3-10-18-24/h1-3,5-10,13-18,25-27H,4,11-12,19-21H2,(H,30,32)(H,31,33)
InChIKeyVGBRODJKNJDXLD-UHFFFAOYSA-N
XLogP4.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-1-(cyclooctylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 30823870
N-cyclohexyl-2-[(2,2-diphenylacetyl)amino]-3-(1H-indol-3-yl)propanamide
CID 3110641
N-[1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-2-(1-hydroxyethyl)but-3-enamide
CID 123189621
(2S)-2-[[(2S)-2-amino-2-cyclohexylacetyl]amino]-3-phenylpropanamide
CID 11067759
N-[2-(cyclohexylamino)-2-oxoethyl]-2,2-diphenylacetamide
CID 1250894
(2S)-N-cyclopropyl-2-[[(2R)-2-methylsulfanylpropanoyl]amino]-3-phenylpropanamide
CID 95291680
methyl (2S)-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanoate
CID 6992952
(2S)-N-(cyanomethyl)-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanamide
CID 10949332
N-cyclopropyl-2-[[2-(1-hydroxycyclohexyl)acetyl]amino]-3-phenylpropanamide
CID 111332048
N-[(2S)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-2,2-diphenylacetamide
CID 40927553
(2S)-N-cyclopentyl-3-hydroxy-2-(2-phenylpropanoylamino)propanamide
CID 6667454
2-[[(2R)-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanoyl]amino]ethyl-dimethylazanium
CID 2366827

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanamide?
The IUPAC name of N-cyclohexyl-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanamide (CID 3523242) is N-cyclohexyl-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanamide.
What is the SMILES notation for N-cyclohexyl-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanamide?
The canonical SMILES for N-cyclohexyl-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanamide is O=C(NC1CCCCC1)C(Cc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-cyclohexyl-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanamide?
The InChIKey is VGBRODJKNJDXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O2/c32-28(30-25-19-11-4-12-20-25)26(21-22-13-5-1-6-14-22)31-29(33)27(23-15-7-2-8-16-23)24-17-9-3-10-18-24/h1-3,5-10,13-18,25-27H,4,11-12,19-21H2,(H,30,32)(H,31,33).
What are the key properties of N-cyclohexyl-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanamide?
N-cyclohexyl-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanamide has a molecular weight of 440.59 g/mol, XLogP of 4.99, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanamide is sourced from PubChem (CID 3523242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).