N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-3,3-diphenyl-N-(2-phenylethyl)propanamide

C31H36N2O2 — CID 132615250

IUPACN-[1-(cyclopentylamino)-1-oxopropan-2-yl]-3,3-diphenyl-N-(2-phenylethyl)propanamide
SMILESCC(C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H36N2O2/c1-24(31(35)32-28-19-11-12-20-28)33(22-21-25-13-5-2-6-14-25)30(34)23-29(26-15-7-3-8-16-26)27-17-9-4-10-18-27/h2-10,13-18,24,28-29H,11-12,19-23H2,1H3,(H,32,35)
InChIKeyNHJMAIDYRYMUHY-UHFFFAOYSA-N
MW468.64 g/mol
LogP5.73
Rot. Bonds10

About N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-3,3-diphenyl-N-(2-phenylethyl)propanamide

N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-3,3-diphenyl-N-(2-phenylethyl)propanamide (PubChem CID 132615250) has the molecular formula C31H36N2O2 and a molecular weight of 468.64 g/mol. Its IUPAC name is N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-3,3-diphenyl-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound NameN-[1-(cyclopentylamino)-1-oxopropan-2-yl]-3,3-diphenyl-N-(2-phenylethyl)propanamide
PubChem CID132615250
Molecular FormulaC31H36N2O2
Molecular Weight468.64 g/mol
Exact Mass468.28
IUPAC NameN-[1-(cyclopentylamino)-1-oxopropan-2-yl]-3,3-diphenyl-N-(2-phenylethyl)propanamide
SMILESCC(C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H36N2O2/c1-24(31(35)32-28-19-11-12-20-28)33(22-21-25-13-5-2-6-14-25)30(34)23-29(26-15-7-3-8-16-26)27-17-9-4-10-18-27/h2-10,13-18,24,28-29H,11-12,19-23H2,1H3,(H,32,35)
InChIKeyNHJMAIDYRYMUHY-UHFFFAOYSA-N
XLogP5.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.64
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-cyclohexyl-2-[2-phenylethyl(3-phenylpropanoyl)amino]propanamide
CID 100517141
(2R)-N-cyclohexyl-2-[2-phenylethyl(propanoyl)amino]propanamide
CID 100521838
2-[[2-(2-chlorophenyl)acetyl]-(2-phenylethyl)amino]-N-cyclopentylpropanamide
CID 132984685
(2S)-N-cyclohexyl-2-[2-phenylethyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]propanamide
CID 100520603
(2R)-N-cyclohexyl-2-[[2-(4-methylphenyl)sulfanylacetyl]-(2-phenylethyl)amino]propanamide
CID 100516837
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3,3-diphenyl-N-(2-phenylethyl)propanamide
CID 132718702
N-cyclopentyl-2-[[2-(2-methylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 132985880
(2S)-2-[3-(4-tert-butylphenyl)propanoyl-(2-phenylethyl)amino]-N-cyclohexylpropanamide
CID 100519886
N-cyclohexyl-2-[[2-(2,6-dichlorophenyl)acetyl]-(2-phenylethyl)amino]propanamide
CID 132614260
N-[(2R)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]-3,3-diphenyl-N-(2-phenylethyl)propanamide
CID 100636510
N-cyclopentyl-2-[2-phenylethyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]propanamide
CID 132611360
N-cyclopentyl-2-[[2-(N-methylsulfonylanilino)acetyl]-(2-phenylethyl)amino]propanamide
CID 132615646

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-3,3-diphenyl-N-(2-phenylethyl)propanamide?
The IUPAC name of N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-3,3-diphenyl-N-(2-phenylethyl)propanamide (CID 132615250) is N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-3,3-diphenyl-N-(2-phenylethyl)propanamide.
What is the SMILES notation for N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-3,3-diphenyl-N-(2-phenylethyl)propanamide?
The canonical SMILES for N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-3,3-diphenyl-N-(2-phenylethyl)propanamide is CC(C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-3,3-diphenyl-N-(2-phenylethyl)propanamide?
The InChIKey is NHJMAIDYRYMUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N2O2/c1-24(31(35)32-28-19-11-12-20-28)33(22-21-25-13-5-2-6-14-25)30(34)23-29(26-15-7-3-8-16-26)27-17-9-4-10-18-27/h2-10,13-18,24,28-29H,11-12,19-23H2,1H3,(H,32,35).
What are the key properties of N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-3,3-diphenyl-N-(2-phenylethyl)propanamide?
N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-3,3-diphenyl-N-(2-phenylethyl)propanamide has a molecular weight of 468.64 g/mol, XLogP of 5.73, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-3,3-diphenyl-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 132615250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).