(2S,3S)-2-amino-N,3-dimethyl-N-[(2-methylphenyl)methyl]pentanamide

C15H24N2O — CID 61154727

IUPAC(2S,3S)-2-amino-N,3-dimethyl-N-[(2-methylphenyl)methyl]pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)N(C)Cc1ccccc1C
InChIInChI=1S/C15H24N2O/c1-5-11(2)14(16)15(18)17(4)10-13-9-7-6-8-12(13)3/h6-9,11,14H,5,10,16H2,1-4H3/t11-,14-/m0/s1
InChIKeyKKZVNDIZZOPKAY-FZMZJTMJSA-N
MW248.37 g/mol
LogP2.33
Rot. Bonds5

About (2S,3S)-2-amino-N,3-dimethyl-N-[(2-methylphenyl)methyl]pentanamide

(2S,3S)-2-amino-N,3-dimethyl-N-[(2-methylphenyl)methyl]pentanamide (PubChem CID 61154727) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (2S,3S)-2-amino-N,3-dimethyl-N-[(2-methylphenyl)methyl]pentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-N,3-dimethyl-N-[(2-methylphenyl)methyl]pentanamide
PubChem CID61154727
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(2S,3S)-2-amino-N,3-dimethyl-N-[(2-methylphenyl)methyl]pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)N(C)Cc1ccccc1C
InChIInChI=1S/C15H24N2O/c1-5-11(2)14(16)15(18)17(4)10-13-9-7-6-8-12(13)3/h6-9,11,14H,5,10,16H2,1-4H3/t11-,14-/m0/s1
InChIKeyKKZVNDIZZOPKAY-FZMZJTMJSA-N
XLogP2.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-amino-N-[(2-hydroxyphenyl)methyl]-N,3-dimethylpentanamide
CID 61164001
(2R)-2-amino-N,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide
CID 79011463
2-amino-N,3-dimethyl-N-[(2-nitrophenyl)methyl]pentanamide
CID 60945232
N-methyl-N-[(2-methylphenyl)methyl]-2-phenoxypropanamide
CID 134028542
2-butoxy-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 48652357
(2S)-2-amino-N-[(2,4-difluorophenyl)methyl]-N,3-dimethylpentanamide
CID 61173739
2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethylpentanamide
CID 119764798
(2S,3S)-2-amino-N-[(3-hydroxyphenyl)methyl]-N,3-dimethylpentanamide
CID 61164196
2-[butan-2-yl-[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]acetic acid
CID 61411470
(2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide
CID 61174614
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylpentanamide
CID 54869576
(2S)-2-amino-N,3-dimethyl-N-(3-phenylpropyl)pentanamide
CID 61172289

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-N,3-dimethyl-N-[(2-methylphenyl)methyl]pentanamide?
The IUPAC name of (2S,3S)-2-amino-N,3-dimethyl-N-[(2-methylphenyl)methyl]pentanamide (CID 61154727) is (2S,3S)-2-amino-N,3-dimethyl-N-[(2-methylphenyl)methyl]pentanamide.
What is the SMILES notation for (2S,3S)-2-amino-N,3-dimethyl-N-[(2-methylphenyl)methyl]pentanamide?
The canonical SMILES for (2S,3S)-2-amino-N,3-dimethyl-N-[(2-methylphenyl)methyl]pentanamide is CC[C@H](C)[C@H](N)C(=O)N(C)Cc1ccccc1C.
What is the InChIKey of (2S,3S)-2-amino-N,3-dimethyl-N-[(2-methylphenyl)methyl]pentanamide?
The InChIKey is KKZVNDIZZOPKAY-FZMZJTMJSA-N. The full InChI is InChI=1S/C15H24N2O/c1-5-11(2)14(16)15(18)17(4)10-13-9-7-6-8-12(13)3/h6-9,11,14H,5,10,16H2,1-4H3/t11-,14-/m0/s1.
What are the key properties of (2S,3S)-2-amino-N,3-dimethyl-N-[(2-methylphenyl)methyl]pentanamide?
(2S,3S)-2-amino-N,3-dimethyl-N-[(2-methylphenyl)methyl]pentanamide has a molecular weight of 248.37 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-N,3-dimethyl-N-[(2-methylphenyl)methyl]pentanamide is sourced from PubChem (CID 61154727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).