(2S)-2-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-methylpentanamide

C17H28N2O — CID 119806715

IUPAC(2S)-2-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-methylpentanamide
SMILESCc1cc(C)cc(CC(C)NC(=O)[C@@H](N)CC(C)C)c1
InChIInChI=1S/C17H28N2O/c1-11(2)6-16(18)17(20)19-14(5)10-15-8-12(3)7-13(4)9-15/h7-9,11,14,16H,6,10,18H2,1-5H3,(H,19,20)/t14?,16-/m0/s1
InChIKeyJPDQCMOMPMDADK-WMCAAGNKSA-N
MW276.42 g/mol
LogP2.72
Rot. Bonds6

About (2S)-2-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-methylpentanamide

(2S)-2-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-methylpentanamide (PubChem CID 119806715) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-methylpentanamide
PubChem CID119806715
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name(2S)-2-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-methylpentanamide
SMILESCc1cc(C)cc(CC(C)NC(=O)[C@@H](N)CC(C)C)c1
InChIInChI=1S/C17H28N2O/c1-11(2)6-16(18)17(20)19-14(5)10-15-8-12(3)7-13(4)9-15/h7-9,11,14,16H,6,10,18H2,1-5H3,(H,19,20)/t14?,16-/m0/s1
InChIKeyJPDQCMOMPMDADK-WMCAAGNKSA-N
XLogP2.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]propanamide
CID 119336726
(2R)-2-amino-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pentanamide
CID 104903571
(2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]-4-methylpentanamide
CID 61156026
(2R)-2-amino-4-methyl-N-[1-(4-methylphenoxy)propan-2-yl]pentanamide
CID 104903220
2-amino-4-methyl-N-(1-methylsulfanylpropan-2-yl)pentanamide
CID 115740467
(2S)-2-amino-N-(4-amino-4-oxobutan-2-yl)-4-methylpentanamide
CID 103812202
(2R)-2-amino-N-(2,6-dibromo-4-methylphenyl)-4-methylpentanamide
CID 28991563
(2S)-2-amino-N-(4-methylpentan-2-yl)butanamide
CID 79025012
(2S)-2-amino-N-(5,5-dimethylhexan-2-yl)-4-methylpentanamide
CID 119796588
(2S)-2-amino-N-heptan-2-yl-4-methylpentanamide
CID 61154397
3-[[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]carbamoylamino]-N,N-dimethylpropanamide
CID 95930302
(2S)-2-amino-N-(1-phenylpropan-2-yl)butanamide
CID 79022695

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-methylpentanamide (CID 119806715) is (2S)-2-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-methylpentanamide is Cc1cc(C)cc(CC(C)NC(=O)[C@@H](N)CC(C)C)c1.
What is the InChIKey of (2S)-2-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-methylpentanamide?
The InChIKey is JPDQCMOMPMDADK-WMCAAGNKSA-N. The full InChI is InChI=1S/C17H28N2O/c1-11(2)6-16(18)17(20)19-14(5)10-15-8-12(3)7-13(4)9-15/h7-9,11,14,16H,6,10,18H2,1-5H3,(H,19,20)/t14?,16-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-methylpentanamide?
(2S)-2-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-methylpentanamide has a molecular weight of 276.42 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-methylpentanamide is sourced from PubChem (CID 119806715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).