(2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylpentanamide

C16H26N2O3 — CID 61167349

IUPAC(2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylpentanamide
SMILESCOc1ccc(C(C)NC(=O)[C@@H](N)CC(C)C)cc1OC
InChIInChI=1S/C16H26N2O3/c1-10(2)8-13(17)16(19)18-11(3)12-6-7-14(20-4)15(9-12)21-5/h6-7,9-11,13H,8,17H2,1-5H3,(H,18,19)/t11?,13-/m0/s1
InChIKeyDWENHOSOFFVQCX-YUZLPWPTSA-N
MW294.40 g/mol
LogP2.25
Rot. Bonds7

About (2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylpentanamide

(2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylpentanamide (PubChem CID 61167349) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylpentanamide
PubChem CID61167349
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name(2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylpentanamide
SMILESCOc1ccc(C(C)NC(=O)[C@@H](N)CC(C)C)cc1OC
InChIInChI=1S/C16H26N2O3/c1-10(2)8-13(17)16(19)18-11(3)12-6-7-14(20-4)15(9-12)21-5/h6-7,9-11,13H,8,17H2,1-5H3,(H,18,19)/t11?,13-/m0/s1
InChIKeyDWENHOSOFFVQCX-YUZLPWPTSA-N
XLogP2.25
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-4-methylpentanamide
CID 61178461
(2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylpentanamide
CID 61166177
2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-methylpentanamide
CID 81370961
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide
CID 17329435
(2S)-2-amino-N-[1-(3-methoxyphenyl)ethyl]-4-methylpentanamide
CID 61179411
(2R)-2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-methylpentanamide
CID 93359650
2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 120667278
(2S)-2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]butanamide;hydrochloride
CID 119273672
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylpropyl)oxamide
CID 108504806
(2R)-2-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide
CID 119288204
3-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119720013
(2S)-2-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-3,3-dimethylbutanamide
CID 119732110

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylpentanamide (CID 61167349) is (2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylpentanamide is COc1ccc(C(C)NC(=O)[C@@H](N)CC(C)C)cc1OC.
What is the InChIKey of (2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylpentanamide?
The InChIKey is DWENHOSOFFVQCX-YUZLPWPTSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-10(2)8-13(17)16(19)18-11(3)12-6-7-14(20-4)15(9-12)21-5/h6-7,9-11,13H,8,17H2,1-5H3,(H,18,19)/t11?,13-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylpentanamide?
(2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylpentanamide has a molecular weight of 294.40 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylpentanamide is sourced from PubChem (CID 61167349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).