(2S)-2-amino-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,4-dimethylpentanamide

C17H28N2O2 — CID 119766907

IUPAC(2S)-2-amino-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,4-dimethylpentanamide
SMILESCOc1c(C)cc(CN(C)C(=O)[C@@H](N)CC(C)C)cc1C
InChIInChI=1S/C17H28N2O2/c1-11(2)7-15(18)17(20)19(5)10-14-8-12(3)16(21-6)13(4)9-14/h8-9,11,15H,7,10,18H2,1-6H3/t15-/m0/s1
InChIKeyXKAWMDYTTYCRPG-HNNXBMFYSA-N
MW292.42 g/mol
LogP2.64
Rot. Bonds6

About (2S)-2-amino-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,4-dimethylpentanamide

(2S)-2-amino-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,4-dimethylpentanamide (PubChem CID 119766907) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is (2S)-2-amino-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,4-dimethylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,4-dimethylpentanamide
PubChem CID119766907
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name(2S)-2-amino-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,4-dimethylpentanamide
SMILESCOc1c(C)cc(CN(C)C(=O)[C@@H](N)CC(C)C)cc1C
InChIInChI=1S/C17H28N2O2/c1-11(2)7-15(18)17(20)19(5)10-14-8-12(3)16(21-6)13(4)9-14/h8-9,11,15H,7,10,18H2,1-6H3/t15-/m0/s1
InChIKeyXKAWMDYTTYCRPG-HNNXBMFYSA-N
XLogP2.64
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(4-methoxy-3-methylphenyl)methyl]-N,4-dimethylpentanamide;hydrochloride
CID 119766961
2-amino-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 120668150
3-amino-1-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea
CID 115192837
(2R)-2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]propanamide
CID 94817225
(2R)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,4-dimethylpentanamide
CID 93367571
2-amino-N-[(3,4-difluorophenyl)methyl]-N,4-dimethylpentanamide
CID 54869994
2-amino-N-[(4-fluorophenyl)methyl]-N,4-dimethylpentanamide;hydrochloride
CID 71756991
2-amino-N-[(4-tert-butylphenyl)methyl]-N,4-dimethylpentanamide
CID 60936758
2-amino-N,4-dimethyl-N-(naphthalen-2-ylmethyl)pentanamide
CID 60938303
(2S)-2-amino-N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-N,4-dimethylpentanamide
CID 119800637
1-amino-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 115189907
(2S)-2-amino-N-[(2-methoxyphenyl)methyl]-N,4-dimethylpentanamide;hydrochloride
CID 119681273

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,4-dimethylpentanamide?
The IUPAC name of (2S)-2-amino-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,4-dimethylpentanamide (CID 119766907) is (2S)-2-amino-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,4-dimethylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,4-dimethylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,4-dimethylpentanamide is COc1c(C)cc(CN(C)C(=O)[C@@H](N)CC(C)C)cc1C.
What is the InChIKey of (2S)-2-amino-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,4-dimethylpentanamide?
The InChIKey is XKAWMDYTTYCRPG-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-11(2)7-15(18)17(20)19(5)10-14-8-12(3)16(21-6)13(4)9-14/h8-9,11,15H,7,10,18H2,1-6H3/t15-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,4-dimethylpentanamide?
(2S)-2-amino-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,4-dimethylpentanamide has a molecular weight of 292.42 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,4-dimethylpentanamide is sourced from PubChem (CID 119766907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).