2-amino-N-[(2,4-dimethoxyphenyl)methyl]butanediamide;hydrochloride

C13H20ClN3O4 — CID 119956336

IUPAC2-amino-N-[(2,4-dimethoxyphenyl)methyl]butanediamide;hydrochloride
SMILESCOc1ccc(CNC(=O)C(N)CC(N)=O)c(OC)c1.Cl
InChIInChI=1S/C13H19N3O4.ClH/c1-19-9-4-3-8(11(5-9)20-2)7-16-13(18)10(14)6-12(15)17;/h3-5,10H,6-7,14H2,1-2H3,(H2,15,17)(H,16,18);1H
InChIKeyMTUWMCHDDGAQCQ-UHFFFAOYSA-N
MW317.77 g/mol
LogP-0.06
Rot. Bonds7

About 2-amino-N-[(2,4-dimethoxyphenyl)methyl]butanediamide;hydrochloride

2-amino-N-[(2,4-dimethoxyphenyl)methyl]butanediamide;hydrochloride (PubChem CID 119956336) has the molecular formula C13H20ClN3O4 and a molecular weight of 317.77 g/mol. Its IUPAC name is 2-amino-N-[(2,4-dimethoxyphenyl)methyl]butanediamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(2,4-dimethoxyphenyl)methyl]butanediamide;hydrochloride
PubChem CID119956336
Molecular FormulaC13H20ClN3O4
Molecular Weight317.77 g/mol
Exact Mass317.11
IUPAC Name2-amino-N-[(2,4-dimethoxyphenyl)methyl]butanediamide;hydrochloride
SMILESCOc1ccc(CNC(=O)C(N)CC(N)=O)c(OC)c1.Cl
InChIInChI=1S/C13H19N3O4.ClH/c1-19-9-4-3-8(11(5-9)20-2)7-16-13(18)10(14)6-12(15)17;/h3-5,10H,6-7,14H2,1-2H3,(H2,15,17)(H,16,18);1H
InChIKeyMTUWMCHDDGAQCQ-UHFFFAOYSA-N
XLogP-0.06
TPSA116.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2,4-dimethoxyphenyl)methylurea
CID 53362457
2-amino-N-[(3-methoxyphenyl)methyl]butanediamide;hydrochloride
CID 119955853
(2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]butanediamide
CID 131861350
(2S)-2-amino-N-[(2,5-dimethoxyphenyl)methyl]butanamide;hydrochloride
CID 119278486
(2S)-2-amino-N-[(3-methoxyphenyl)methyl]butanediamide
CID 93345247
(2R)-2-bromo-N-[(2,4-dimethoxyphenyl)methyl]butanamide
CID 92864173
(2S)-2-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-methylpentanamide;hydrochloride
CID 119802569
2-amino-3-methoxy-N-[(2-methoxy-4-methylphenyl)methyl]propanamide
CID 120992441
2-amino-N-[[2-(methoxymethyl)phenyl]methyl]butanediamide;hydrochloride
CID 119956519
N-(2-amino-2-oxoethyl)-2-(2,4-dimethoxyphenyl)acetamide
CID 9297010
1-[(2,4-dimethoxyphenyl)methyl]-3-ethylurea
CID 47277960
2-amino-4-[(2,4-dimethoxyphenyl)methylamino]butanoic acid
CID 115241190

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2,4-dimethoxyphenyl)methyl]butanediamide;hydrochloride?
The IUPAC name of 2-amino-N-[(2,4-dimethoxyphenyl)methyl]butanediamide;hydrochloride (CID 119956336) is 2-amino-N-[(2,4-dimethoxyphenyl)methyl]butanediamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(2,4-dimethoxyphenyl)methyl]butanediamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(2,4-dimethoxyphenyl)methyl]butanediamide;hydrochloride is COc1ccc(CNC(=O)C(N)CC(N)=O)c(OC)c1.Cl.
What is the InChIKey of 2-amino-N-[(2,4-dimethoxyphenyl)methyl]butanediamide;hydrochloride?
The InChIKey is MTUWMCHDDGAQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4.ClH/c1-19-9-4-3-8(11(5-9)20-2)7-16-13(18)10(14)6-12(15)17;/h3-5,10H,6-7,14H2,1-2H3,(H2,15,17)(H,16,18);1H.
What are the key properties of 2-amino-N-[(2,4-dimethoxyphenyl)methyl]butanediamide;hydrochloride?
2-amino-N-[(2,4-dimethoxyphenyl)methyl]butanediamide;hydrochloride has a molecular weight of 317.77 g/mol, XLogP of -0.06, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2,4-dimethoxyphenyl)methyl]butanediamide;hydrochloride is sourced from PubChem (CID 119956336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).