N-[(3-aminophenyl)methyl]-2-phenylbutanamide

C17H20N2O — CID 62499796

IUPACN-[(3-aminophenyl)methyl]-2-phenylbutanamide
SMILESCCC(C(=O)NCc1cccc(N)c1)c1ccccc1
InChIInChI=1S/C17H20N2O/c1-2-16(14-8-4-3-5-9-14)17(20)19-12-13-7-6-10-15(18)11-13/h3-11,16H,2,12,18H2,1H3,(H,19,20)
InChIKeyYMOMLDPHOLGHJL-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.08
Rot. Bonds5

About N-[(3-aminophenyl)methyl]-2-phenylbutanamide

N-[(3-aminophenyl)methyl]-2-phenylbutanamide (PubChem CID 62499796) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-2-phenylbutanamide
PubChem CID62499796
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-[(3-aminophenyl)methyl]-2-phenylbutanamide
SMILESCCC(C(=O)NCc1cccc(N)c1)c1ccccc1
InChIInChI=1S/C17H20N2O/c1-2-16(14-8-4-3-5-9-14)17(20)19-12-13-7-6-10-15(18)11-13/h3-11,16H,2,12,18H2,1H3,(H,19,20)
InChIKeyYMOMLDPHOLGHJL-UHFFFAOYSA-N
XLogP3.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3-[(2-phenylbutanoylamino)methyl]benzamide
CID 46592660
2-amino-N-[(3-aminophenyl)methyl]-3-phenylpropanamide
CID 110483800
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenylbutanamide
CID 30476254
(2S)-2-phenyl-N-(3-phenylpropyl)butanamide
CID 2300118
(2S)-N-(furan-2-ylmethyl)-2-phenylbutanamide
CID 40538690
N-(2-bromoethyl)-2-phenylbutanamide
CID 4632577
(2S)-2-phenyl-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]butanamide
CID 141140195
N-(3-ethylphenyl)-2-phenylbutanamide
CID 2931545
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-phenylbutanamide
CID 79524022
(2S)-N-[(3-acetamidophenyl)methyl]-3-methylsulfanyl-2-phenylpropanamide
CID 97216568
3-[(3-aminophenyl)methyl]-1,1-dimethylurea
CID 79153723
ethyl 3-[(3-aminophenyl)methylamino]-3-oxopropanoate
CID 110480910

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-2-phenylbutanamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-2-phenylbutanamide (CID 62499796) is N-[(3-aminophenyl)methyl]-2-phenylbutanamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-2-phenylbutanamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-2-phenylbutanamide is CCC(C(=O)NCc1cccc(N)c1)c1ccccc1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-2-phenylbutanamide?
The InChIKey is YMOMLDPHOLGHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-2-16(14-8-4-3-5-9-14)17(20)19-12-13-7-6-10-15(18)11-13/h3-11,16H,2,12,18H2,1H3,(H,19,20).
What are the key properties of N-[(3-aminophenyl)methyl]-2-phenylbutanamide?
N-[(3-aminophenyl)methyl]-2-phenylbutanamide has a molecular weight of 268.36 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-2-phenylbutanamide is sourced from PubChem (CID 62499796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).