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

C14H22N2O3 — CID 54868981

IUPAC4-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide
SMILESCOc1cccc(CN(C)C(=O)CCCN)c1OC
InChIInChI=1S/C14H22N2O3/c1-16(13(17)8-5-9-15)10-11-6-4-7-12(18-2)14(11)19-3/h4,6-7H,5,8-10,15H2,1-3H3
InChIKeyLIBXIPIMGTWJQY-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.40
Rot. Bonds7

About 4-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide

4-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide (PubChem CID 54868981) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide
PubChem CID54868981
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name4-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide
SMILESCOc1cccc(CN(C)C(=O)CCCN)c1OC
InChIInChI=1S/C14H22N2O3/c1-16(13(17)8-5-9-15)10-11-6-4-7-12(18-2)14(11)19-3/h4,6-7H,5,8-10,15H2,1-3H3
InChIKeyLIBXIPIMGTWJQY-UHFFFAOYSA-N
XLogP1.40
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

6-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylhexanamide
CID 60936664
5-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylpentanamide
CID 43470726
7-amino-N-[(2-methoxyphenyl)methyl]-N-methylheptanamide
CID 61027379
5-amino-N-[(2,3-dimethoxyphenyl)methyl]-N,2-dimethylpentanamide
CID 104684287
4-amino-N-[(5-ethyl-2-methoxyphenyl)methyl]-N-methylbutanamide
CID 115155352
2-hydroxyethyl N-[(2,3-dimethoxyphenyl)methyl]-N-methylcarbamate
CID 79346244
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-(propylamino)acetamide
CID 60648390
4-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide;hydrochloride
CID 119278553
3-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpropanamide
CID 94687738
(2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide
CID 79024645
4-amino-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylbutanamide
CID 115155361
2-amino-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 60718962

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide?
The IUPAC name of 4-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide (CID 54868981) is 4-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide.
What is the SMILES notation for 4-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide?
The canonical SMILES for 4-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide is COc1cccc(CN(C)C(=O)CCCN)c1OC.
What is the InChIKey of 4-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide?
The InChIKey is LIBXIPIMGTWJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-16(13(17)8-5-9-15)10-11-6-4-7-12(18-2)14(11)19-3/h4,6-7H,5,8-10,15H2,1-3H3.
What are the key properties of 4-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide?
4-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide has a molecular weight of 266.34 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide is sourced from PubChem (CID 54868981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).