(2R)-2-[(4-phenylphenyl)methyl]butanediamide

C17H18N2O2 — CID 154379119

IUPAC(2R)-2-[(4-phenylphenyl)methyl]butanediamide
SMILESNC(=O)C[C@@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O
InChIInChI=1S/C17H18N2O2/c18-16(20)11-15(17(19)21)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,15H,10-11H2,(H2,18,20)(H2,19,21)/t15-/m1/s1
InChIKeyYYXFEKUPIMBYRI-OAHLLOKOSA-N
MW282.34 g/mol
LogP1.87
Rot. Bonds6

About (2R)-2-[(4-phenylphenyl)methyl]butanediamide

(2R)-2-[(4-phenylphenyl)methyl]butanediamide (PubChem CID 154379119) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is (2R)-2-[(4-phenylphenyl)methyl]butanediamide.

Molecular Properties

Compound Name(2R)-2-[(4-phenylphenyl)methyl]butanediamide
PubChem CID154379119
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name(2R)-2-[(4-phenylphenyl)methyl]butanediamide
SMILESNC(=O)C[C@@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O
InChIInChI=1S/C17H18N2O2/c18-16(20)11-15(17(19)21)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,15H,10-11H2,(H2,18,20)(H2,19,21)/t15-/m1/s1
InChIKeyYYXFEKUPIMBYRI-OAHLLOKOSA-N
XLogP1.87
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[4-(3,5-dichlorophenyl)phenyl]methyl]butanediamide
CID 70062971
2-[[4-(2-benzofuran-1-yl)phenyl]methyl]butanediamide
CID 70063500
(2R)-2-(aminomethyl)-3-(4-phenylphenyl)propanoic acid
CID 29061371
2-[(4-methoxyphenyl)methyl]butanediamide
CID 70065989
2-[[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]methyl]butanediamide
CID 70064312
(2S)-2-(azaniumylmethyl)-3-(4-phenylphenyl)propanoate
CID 29061373
(2R)-2-(azaniumylmethyl)-3-(4-phenylphenyl)propanoate
CID 29061370
2-[(2-hydroxyphenyl)methyl]butanediamide
CID 70063136
methyl (3R)-4-amino-3-benzyl-4-oxobutanoate
CID 170449979
(2R)-2-benzyl-5-(4-bromophenyl)-4-oxopentanamide
CID 147604512
(2S)-2-amino-3-[4-(4-phenylphenyl)phenyl]propanoic acid;hydrochloride
CID 70131876
(3R)-3-amino-4-(4-phenylphenyl)butan-2-one
CID 159098025

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-phenylphenyl)methyl]butanediamide?
The IUPAC name of (2R)-2-[(4-phenylphenyl)methyl]butanediamide (CID 154379119) is (2R)-2-[(4-phenylphenyl)methyl]butanediamide.
What is the SMILES notation for (2R)-2-[(4-phenylphenyl)methyl]butanediamide?
The canonical SMILES for (2R)-2-[(4-phenylphenyl)methyl]butanediamide is NC(=O)C[C@@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O.
What is the InChIKey of (2R)-2-[(4-phenylphenyl)methyl]butanediamide?
The InChIKey is YYXFEKUPIMBYRI-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H18N2O2/c18-16(20)11-15(17(19)21)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,15H,10-11H2,(H2,18,20)(H2,19,21)/t15-/m1/s1.
What are the key properties of (2R)-2-[(4-phenylphenyl)methyl]butanediamide?
(2R)-2-[(4-phenylphenyl)methyl]butanediamide has a molecular weight of 282.34 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-phenylphenyl)methyl]butanediamide is sourced from PubChem (CID 154379119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).