N-(1,2-diphenylethyl)-4-(methylamino)butanamide

C19H24N2O — CID 119689852

IUPACN-(1,2-diphenylethyl)-4-(methylamino)butanamide
SMILESCNCCCC(=O)NC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H24N2O/c1-20-14-8-13-19(22)21-18(17-11-6-3-7-12-17)15-16-9-4-2-5-10-16/h2-7,9-12,18,20H,8,13-15H2,1H3,(H,21,22)
InChIKeyCFKIXUWOOTXFIL-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.09
Rot. Bonds8

About N-(1,2-diphenylethyl)-4-(methylamino)butanamide

N-(1,2-diphenylethyl)-4-(methylamino)butanamide (PubChem CID 119689852) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is N-(1,2-diphenylethyl)-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-(1,2-diphenylethyl)-4-(methylamino)butanamide
PubChem CID119689852
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC NameN-(1,2-diphenylethyl)-4-(methylamino)butanamide
SMILESCNCCCC(=O)NC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H24N2O/c1-20-14-8-13-19(22)21-18(17-11-6-3-7-12-17)15-16-9-4-2-5-10-16/h2-7,9-12,18,20H,8,13-15H2,1H3,(H,21,22)
InChIKeyCFKIXUWOOTXFIL-UHFFFAOYSA-N
XLogP3.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1,2-diphenylethyl)pentanamide
CID 134014505
N-(2-hydroxy-1-phenylethyl)-4-(methylamino)butanamide
CID 63183611
4-(methylamino)-N-(2-methylsulfinyl-1-phenylethyl)butanamide
CID 119805754
N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]-4-(methylamino)butanamide
CID 119765071
6-amino-N-(1,2-diphenylethyl)hexanamide
CID 42792343
4-(methylamino)-N-(1-phenylbutan-2-yl)butanamide
CID 119766314
methyl 4-[4-(methylamino)butanoylamino]-4-phenylbutanoate
CID 119777925
4-(methylamino)-N-(1-phenylbutan-2-yl)butanamide;hydrochloride
CID 119766313
1-(1,2-diphenylethyl)-3-methylurea
CID 23548551
2-[4-(methylamino)butanoylamino]-2-phenylacetic acid
CID 61157870
N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-(methylamino)butanamide
CID 119780816
4-amino-N-[2-(4-chlorophenyl)-1-phenylethyl]butanamide
CID 119300535

Frequently Asked Questions

What is the IUPAC name of N-(1,2-diphenylethyl)-4-(methylamino)butanamide?
The IUPAC name of N-(1,2-diphenylethyl)-4-(methylamino)butanamide (CID 119689852) is N-(1,2-diphenylethyl)-4-(methylamino)butanamide.
What is the SMILES notation for N-(1,2-diphenylethyl)-4-(methylamino)butanamide?
The canonical SMILES for N-(1,2-diphenylethyl)-4-(methylamino)butanamide is CNCCCC(=O)NC(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-(1,2-diphenylethyl)-4-(methylamino)butanamide?
The InChIKey is CFKIXUWOOTXFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-20-14-8-13-19(22)21-18(17-11-6-3-7-12-17)15-16-9-4-2-5-10-16/h2-7,9-12,18,20H,8,13-15H2,1H3,(H,21,22).
What are the key properties of N-(1,2-diphenylethyl)-4-(methylamino)butanamide?
N-(1,2-diphenylethyl)-4-(methylamino)butanamide has a molecular weight of 296.41 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-diphenylethyl)-4-(methylamino)butanamide is sourced from PubChem (CID 119689852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).