3-amino-N-(4-phenylphenyl)butanamide

C16H18N2O — CID 60835996

IUPAC3-amino-N-(4-phenylphenyl)butanamide
SMILESCC(N)CC(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H18N2O/c1-12(17)11-16(19)18-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,12H,11,17H2,1H3,(H,18,19)
InChIKeyCEMUDUMCJMMJAF-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.03
Rot. Bonds4

About 3-amino-N-(4-phenylphenyl)butanamide

3-amino-N-(4-phenylphenyl)butanamide (PubChem CID 60835996) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-amino-N-(4-phenylphenyl)butanamide.

Molecular Properties

Compound Name3-amino-N-(4-phenylphenyl)butanamide
PubChem CID60835996
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name3-amino-N-(4-phenylphenyl)butanamide
SMILESCC(N)CC(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H18N2O/c1-12(17)11-16(19)18-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,12H,11,17H2,1H3,(H,18,19)
InChIKeyCEMUDUMCJMMJAF-UHFFFAOYSA-N
XLogP3.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-phenyl-N-(4-phenylphenyl)butanamide
CID 7925945
3-amino-N-[4-(carbamoylamino)phenyl]butanamide;hydrochloride
CID 119701459
2-amino-N-(4-phenylphenyl)acetamide
CID 43218250
3-amino-N-(4-ethylphenyl)butanamide;hydrochloride
CID 119674065
N-[4-(3-aminobutanoylamino)phenyl]-2,2-dimethylpropanamide
CID 61254421
3-amino-N-[4-(methanesulfonamido)phenyl]butanamide
CID 60836339
3-amino-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]butanamide
CID 119713096
3-amino-N-(4-phenylphenyl)propanamide;hydrochloride
CID 44769625
3-amino-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]butanamide;hydrochloride
CID 119764922
3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]butanamide
CID 54924467
3-amino-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]butanamide
CID 60837809
3-methyl-N-[4-(phenylcarbamoylamino)phenyl]butanamide
CID 17193970

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-phenylphenyl)butanamide?
The IUPAC name of 3-amino-N-(4-phenylphenyl)butanamide (CID 60835996) is 3-amino-N-(4-phenylphenyl)butanamide.
What is the SMILES notation for 3-amino-N-(4-phenylphenyl)butanamide?
The canonical SMILES for 3-amino-N-(4-phenylphenyl)butanamide is CC(N)CC(=O)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-amino-N-(4-phenylphenyl)butanamide?
The InChIKey is CEMUDUMCJMMJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-12(17)11-16(19)18-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,12H,11,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-N-(4-phenylphenyl)butanamide?
3-amino-N-(4-phenylphenyl)butanamide has a molecular weight of 254.33 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-phenylphenyl)butanamide is sourced from PubChem (CID 60835996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).