(2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide

C14H22N2O3 — CID 79024645

IUPAC(2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide
SMILESCC[C@H](N)C(=O)N(C)Cc1cccc(OC)c1OC
InChIInChI=1S/C14H22N2O3/c1-5-11(15)14(17)16(2)9-10-7-6-8-12(18-3)13(10)19-4/h6-8,11H,5,9,15H2,1-4H3/t11-/m0/s1
InChIKeyOZTYPGNSJOLXGU-NSHDSACASA-N
MW266.34 g/mol
LogP1.40
Rot. Bonds6

About (2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide

(2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide (PubChem CID 79024645) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide
PubChem CID79024645
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name(2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide
SMILESCC[C@H](N)C(=O)N(C)Cc1cccc(OC)c1OC
InChIInChI=1S/C14H22N2O3/c1-5-11(15)14(17)16(2)9-10-7-6-8-12(18-3)13(10)19-4/h6-8,11H,5,9,15H2,1-4H3/t11-/m0/s1
InChIKeyOZTYPGNSJOLXGU-NSHDSACASA-N
XLogP1.40
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide
CID 62856311
5-amino-N-[(2,3-dimethoxyphenyl)methyl]-N,2-dimethylpentanamide
CID 104684287
(2S)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylbutanamide
CID 79024442
2-hydroxyethyl N-[(2,3-dimethoxyphenyl)methyl]-N-methylcarbamate
CID 79346244
4-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide
CID 54868981
(2S)-2-amino-N-[(2-methoxyphenyl)methyl]-N,4-dimethylpentanamide;hydrochloride
CID 119681273
2-amino-N-[(2-fluorophenyl)methyl]-N-methylbutanamide
CID 43649648
5-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylpentanamide
CID 43470726
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-(propylamino)acetamide
CID 60648390
6-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylhexanamide
CID 60936664
3-bromo-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 7718898
1-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 60937332

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide (CID 79024645) is (2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide is CC[C@H](N)C(=O)N(C)Cc1cccc(OC)c1OC.
What is the InChIKey of (2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide?
The InChIKey is OZTYPGNSJOLXGU-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N2O3/c1-5-11(15)14(17)16(2)9-10-7-6-8-12(18-3)13(10)19-4/h6-8,11H,5,9,15H2,1-4H3/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide?
(2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide has a molecular weight of 266.34 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide is sourced from PubChem (CID 79024645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).