4-(dimethylamino)-2-(2-phenylphenyl)butanamide

C18H22N2O — CID 70546597

IUPAC4-(dimethylamino)-2-(2-phenylphenyl)butanamide
SMILESCN(C)CCC(C(N)=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C18H22N2O/c1-20(2)13-12-17(18(19)21)16-11-7-6-10-15(16)14-8-4-3-5-9-14/h3-11,17H,12-13H2,1-2H3,(H2,19,21)
InChIKeyKHEICOHCVVFGLQ-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.87
Rot. Bonds6

About 4-(dimethylamino)-2-(2-phenylphenyl)butanamide

4-(dimethylamino)-2-(2-phenylphenyl)butanamide (PubChem CID 70546597) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-(dimethylamino)-2-(2-phenylphenyl)butanamide.

Molecular Properties

Compound Name4-(dimethylamino)-2-(2-phenylphenyl)butanamide
PubChem CID70546597
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name4-(dimethylamino)-2-(2-phenylphenyl)butanamide
SMILESCN(C)CCC(C(N)=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C18H22N2O/c1-20(2)13-12-17(18(19)21)16-11-7-6-10-15(16)14-8-4-3-5-9-14/h3-11,17H,12-13H2,1-2H3,(H2,19,21)
InChIKeyKHEICOHCVVFGLQ-UHFFFAOYSA-N
XLogP2.87
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(diethylamino)-2-(2-phenylphenyl)pentanamide
CID 23453800
4-(dimethylamino)-1-(2-phenylphenyl)butan-1-ol;hydrochloride
CID 12944238
2-(2-phenylphenyl)pentanoic acid
CID 67565626
N-[(2R)-1-amino-1-oxopropan-2-yl]-N-methyl-2-phenylbenzamide
CID 68727641
N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-N-methyl-2-phenylbenzamide
CID 68728242
N-(1-amino-4-methyl-1-oxopentan-2-yl)-N-methyl-2-phenylbenzamide
CID 68728016
2-carbamoyl-3-phenylbenzoic acid;N',N'-dimethylethane-1,2-diamine
CID 175433920
N-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]-N-methyl-2-phenylbenzamide
CID 68726081
bis(1,1'-biphenyl);2-(2-phenylphenyl)propanoic acid
CID 70214547
1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-[2-(4-fluorophenyl)phenyl]pentan-1-one
CID 138667876
ethyl (2R)-2-chloro-2-(2-phenylphenyl)acetate
CID 124634186
4-(dimethylamino)-2-methylbutanamide;hydrochloride
CID 143130107

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-(2-phenylphenyl)butanamide?
The IUPAC name of 4-(dimethylamino)-2-(2-phenylphenyl)butanamide (CID 70546597) is 4-(dimethylamino)-2-(2-phenylphenyl)butanamide.
What is the SMILES notation for 4-(dimethylamino)-2-(2-phenylphenyl)butanamide?
The canonical SMILES for 4-(dimethylamino)-2-(2-phenylphenyl)butanamide is CN(C)CCC(C(N)=O)c1ccccc1-c1ccccc1.
What is the InChIKey of 4-(dimethylamino)-2-(2-phenylphenyl)butanamide?
The InChIKey is KHEICOHCVVFGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-20(2)13-12-17(18(19)21)16-11-7-6-10-15(16)14-8-4-3-5-9-14/h3-11,17H,12-13H2,1-2H3,(H2,19,21).
What are the key properties of 4-(dimethylamino)-2-(2-phenylphenyl)butanamide?
4-(dimethylamino)-2-(2-phenylphenyl)butanamide has a molecular weight of 282.39 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-(2-phenylphenyl)butanamide is sourced from PubChem (CID 70546597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).