(2R)-2-(benzhydrylamino)-3-methylbutanamide

C18H22N2O — CID 54455149

IUPAC(2R)-2-(benzhydrylamino)-3-methylbutanamide
SMILESCC(C)[C@@H](NC(c1ccccc1)c1ccccc1)C(N)=O
InChIInChI=1S/C18H22N2O/c1-13(2)16(18(19)21)20-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16-17,20H,1-2H3,(H2,19,21)/t16-/m1/s1
InChIKeyWXROTKNADMETLX-MRXNPFEDSA-N
MW282.39 g/mol
LogP2.88
Rot. Bonds6

About (2R)-2-(benzhydrylamino)-3-methylbutanamide

(2R)-2-(benzhydrylamino)-3-methylbutanamide (PubChem CID 54455149) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is (2R)-2-(benzhydrylamino)-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-(benzhydrylamino)-3-methylbutanamide
PubChem CID54455149
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name(2R)-2-(benzhydrylamino)-3-methylbutanamide
SMILESCC(C)[C@@H](NC(c1ccccc1)c1ccccc1)C(N)=O
InChIInChI=1S/C18H22N2O/c1-13(2)16(18(19)21)20-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16-17,20H,1-2H3,(H2,19,21)/t16-/m1/s1
InChIKeyWXROTKNADMETLX-MRXNPFEDSA-N
XLogP2.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-3-methylbutanamide
CID 66657959
3-methyl-2-[(3-methyl-1-phenylbutyl)amino]butanamide
CID 103729643
methyl 2-(benzhydrylamino)-3-hydroxy-4-methylpentanoate
CID 102339823
2-[(3,3-dimethyl-1-phenylbutyl)amino]-3-methylbutanamide
CID 106344306
3-methyl-2-(1-phenylpropan-2-ylamino)butanamide
CID 106344213
3-(benzhydrylamino)-2-methylpropanamide
CID 43312171
2-(benzhydrylamino)-N-carbamoylpropanamide
CID 42915569
2-(3-methylbutan-2-ylamino)-2-phenylacetamide
CID 75524917
(2R)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]propanamide
CID 9132466
(2S)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]propanamide
CID 9132458
2-[(3-amino-2-phenylpropanoyl)amino]-3-methylbutanamide
CID 106344661
3-(benzhydrylamino)-4-methylpentanoic acid
CID 69228030

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(benzhydrylamino)-3-methylbutanamide?
The IUPAC name of (2R)-2-(benzhydrylamino)-3-methylbutanamide (CID 54455149) is (2R)-2-(benzhydrylamino)-3-methylbutanamide.
What is the SMILES notation for (2R)-2-(benzhydrylamino)-3-methylbutanamide?
The canonical SMILES for (2R)-2-(benzhydrylamino)-3-methylbutanamide is CC(C)[C@@H](NC(c1ccccc1)c1ccccc1)C(N)=O.
What is the InChIKey of (2R)-2-(benzhydrylamino)-3-methylbutanamide?
The InChIKey is WXROTKNADMETLX-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13(2)16(18(19)21)20-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16-17,20H,1-2H3,(H2,19,21)/t16-/m1/s1.
What are the key properties of (2R)-2-(benzhydrylamino)-3-methylbutanamide?
(2R)-2-(benzhydrylamino)-3-methylbutanamide has a molecular weight of 282.39 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(benzhydrylamino)-3-methylbutanamide is sourced from PubChem (CID 54455149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).