3-amino-N-[cyclobutyl(phenyl)methyl]-3-phenylpropanamide

C20H24N2O — CID 119951252

IUPAC3-amino-N-[cyclobutyl(phenyl)methyl]-3-phenylpropanamide
SMILESNC(CC(=O)NC(c1ccccc1)C1CCC1)c1ccccc1
InChIInChI=1S/C20H24N2O/c21-18(15-8-3-1-4-9-15)14-19(23)22-20(17-12-7-13-17)16-10-5-2-6-11-16/h1-6,8-11,17-18,20H,7,12-14,21H2,(H,22,23)
InChIKeyMBBMWWGRNUKSET-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.73
Rot. Bonds6

About 3-amino-N-[cyclobutyl(phenyl)methyl]-3-phenylpropanamide

3-amino-N-[cyclobutyl(phenyl)methyl]-3-phenylpropanamide (PubChem CID 119951252) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 3-amino-N-[cyclobutyl(phenyl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[cyclobutyl(phenyl)methyl]-3-phenylpropanamide
PubChem CID119951252
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name3-amino-N-[cyclobutyl(phenyl)methyl]-3-phenylpropanamide
SMILESNC(CC(=O)NC(c1ccccc1)C1CCC1)c1ccccc1
InChIInChI=1S/C20H24N2O/c21-18(15-8-3-1-4-9-15)14-19(23)22-20(17-12-7-13-17)16-10-5-2-6-11-16/h1-6,8-11,17-18,20H,7,12-14,21H2,(H,22,23)
InChIKeyMBBMWWGRNUKSET-UHFFFAOYSA-N
XLogP3.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[cyclobutyl-(4-fluorophenyl)methyl]-3-phenylpropanamide;hydrochloride
CID 119951249
3-amino-N-[cyclopentyl(phenyl)methyl]butanamide
CID 119737377
4-amino-N-[cyclobutyl(phenyl)methyl]-3-methoxybutanamide;hydrochloride
CID 120591726
N-[cyclobutyl(phenyl)methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111538084
3-chloro-N-[cyclohexyl(phenyl)methyl]propanamide
CID 14208386
N-[cyclopentyl(phenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 2964253
N-[(S)-cyclohexyl(phenyl)methyl]-2-ethylsulfonylacetamide
CID 94493852
N-[(R)-cyclohexyl(phenyl)methyl]cyclobutanecarboxamide
CID 39025533
2-[(3-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 64816023
2-(4-aminophenyl)-N-[cyclopropyl(phenyl)methyl]acetamide
CID 43709659
4-[(3-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 61160281
[2-[[(S)-cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] acetate
CID 30313916

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[cyclobutyl(phenyl)methyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[cyclobutyl(phenyl)methyl]-3-phenylpropanamide (CID 119951252) is 3-amino-N-[cyclobutyl(phenyl)methyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[cyclobutyl(phenyl)methyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[cyclobutyl(phenyl)methyl]-3-phenylpropanamide is NC(CC(=O)NC(c1ccccc1)C1CCC1)c1ccccc1.
What is the InChIKey of 3-amino-N-[cyclobutyl(phenyl)methyl]-3-phenylpropanamide?
The InChIKey is MBBMWWGRNUKSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c21-18(15-8-3-1-4-9-15)14-19(23)22-20(17-12-7-13-17)16-10-5-2-6-11-16/h1-6,8-11,17-18,20H,7,12-14,21H2,(H,22,23).
What are the key properties of 3-amino-N-[cyclobutyl(phenyl)methyl]-3-phenylpropanamide?
3-amino-N-[cyclobutyl(phenyl)methyl]-3-phenylpropanamide has a molecular weight of 308.43 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[cyclobutyl(phenyl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 119951252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).