3-amino-2-methyl-3-phenyl-N-(2-phenylcyclopentyl)propanamide

C21H26N2O — CID 119783067

IUPAC3-amino-2-methyl-3-phenyl-N-(2-phenylcyclopentyl)propanamide
SMILESCC(C(=O)NC1CCCC1c1ccccc1)C(N)c1ccccc1
InChIInChI=1S/C21H26N2O/c1-15(20(22)17-11-6-3-7-12-17)21(24)23-19-14-8-13-18(19)16-9-4-2-5-10-16/h2-7,9-12,15,18-20H,8,13-14,22H2,1H3,(H,23,24)
InChIKeyBGKVIHFOIGUAPO-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.78
Rot. Bonds5

About 3-amino-2-methyl-3-phenyl-N-(2-phenylcyclopentyl)propanamide

3-amino-2-methyl-3-phenyl-N-(2-phenylcyclopentyl)propanamide (PubChem CID 119783067) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 3-amino-2-methyl-3-phenyl-N-(2-phenylcyclopentyl)propanamide.

Molecular Properties

Compound Name3-amino-2-methyl-3-phenyl-N-(2-phenylcyclopentyl)propanamide
PubChem CID119783067
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name3-amino-2-methyl-3-phenyl-N-(2-phenylcyclopentyl)propanamide
SMILESCC(C(=O)NC1CCCC1c1ccccc1)C(N)c1ccccc1
InChIInChI=1S/C21H26N2O/c1-15(20(22)17-11-6-3-7-12-17)21(24)23-19-14-8-13-18(19)16-9-4-2-5-10-16/h2-7,9-12,15,18-20H,8,13-14,22H2,1H3,(H,23,24)
InChIKeyBGKVIHFOIGUAPO-UHFFFAOYSA-N
XLogP3.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-methyl-N-(2-methylcyclohexyl)-3-phenylpropanamide;hydrochloride
CID 119676490
2-methyl-N-[(1R)-2-phenylcyclohexyl]propanamide
CID 170769324
(2S)-2-amino-3-phenyl-N-(2-phenylcyclopentyl)propanamide
CID 119323274
2-methylsulfonyl-N-(2-phenylcyclohexyl)propanamide
CID 75420632
[(2S)-2-phenylcyclohexyl]urea
CID 141176309
3-amino-2-methyl-N-(3-methylcyclobutyl)-3-phenylpropanamide;hydrochloride
CID 119790806
2-amino-N-(2-phenylcyclopentyl)acetamide
CID 119323270
3-amino-N-(1-cyclopentylethyl)-2-methyl-3-phenylpropanamide
CID 80552136
3-amino-N-[(1R)-1-cyclohexylethyl]-2-methyl-3-phenylpropanamide
CID 81389040
3-amino-2-methyl-N-(4-methylsulfonylcyclohexyl)-3-phenylpropanamide;hydrochloride
CID 119802914
(2S)-2-amino-N-(2-phenylcyclopropyl)propanamide
CID 78977151
2,3-dimethyl-N-[(1S,2R)-2-phenylcyclopropyl]butanamide
CID 118334207

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-3-phenyl-N-(2-phenylcyclopentyl)propanamide?
The IUPAC name of 3-amino-2-methyl-3-phenyl-N-(2-phenylcyclopentyl)propanamide (CID 119783067) is 3-amino-2-methyl-3-phenyl-N-(2-phenylcyclopentyl)propanamide.
What is the SMILES notation for 3-amino-2-methyl-3-phenyl-N-(2-phenylcyclopentyl)propanamide?
The canonical SMILES for 3-amino-2-methyl-3-phenyl-N-(2-phenylcyclopentyl)propanamide is CC(C(=O)NC1CCCC1c1ccccc1)C(N)c1ccccc1.
What is the InChIKey of 3-amino-2-methyl-3-phenyl-N-(2-phenylcyclopentyl)propanamide?
The InChIKey is BGKVIHFOIGUAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-15(20(22)17-11-6-3-7-12-17)21(24)23-19-14-8-13-18(19)16-9-4-2-5-10-16/h2-7,9-12,15,18-20H,8,13-14,22H2,1H3,(H,23,24).
What are the key properties of 3-amino-2-methyl-3-phenyl-N-(2-phenylcyclopentyl)propanamide?
3-amino-2-methyl-3-phenyl-N-(2-phenylcyclopentyl)propanamide has a molecular weight of 322.45 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-3-phenyl-N-(2-phenylcyclopentyl)propanamide is sourced from PubChem (CID 119783067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).