4-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]-3-methoxybutanamide;hydrochloride

C15H25ClN2O4 — CID 120587300

IUPAC4-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]-3-methoxybutanamide;hydrochloride
SMILESCOc1ccc(OC)c(C(C)NC(=O)CC(CN)OC)c1.Cl
InChIInChI=1S/C15H24N2O4.ClH/c1-10(17-15(18)8-12(9-16)20-3)13-7-11(19-2)5-6-14(13)21-4;/h5-7,10,12H,8-9,16H2,1-4H3,(H,17,18);1H
InChIKeyMYIXRZFODKKYBA-UHFFFAOYSA-N
MW332.83 g/mol
LogP1.67
Rot. Bonds8

About 4-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]-3-methoxybutanamide;hydrochloride

4-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]-3-methoxybutanamide;hydrochloride (PubChem CID 120587300) has the molecular formula C15H25ClN2O4 and a molecular weight of 332.83 g/mol. Its IUPAC name is 4-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]-3-methoxybutanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]-3-methoxybutanamide;hydrochloride
PubChem CID120587300
Molecular FormulaC15H25ClN2O4
Molecular Weight332.83 g/mol
Exact Mass332.15
IUPAC Name4-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]-3-methoxybutanamide;hydrochloride
SMILESCOc1ccc(OC)c(C(C)NC(=O)CC(CN)OC)c1.Cl
InChIInChI=1S/C15H24N2O4.ClH/c1-10(17-15(18)8-12(9-16)20-3)13-7-11(19-2)5-6-14(13)21-4;/h5-7,10,12H,8-9,16H2,1-4H3,(H,17,18);1H
InChIKeyMYIXRZFODKKYBA-UHFFFAOYSA-N
XLogP1.67
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,5-dimethoxyphenyl)ethyl]-3,3-diphenylpropanamide
CID 85019951
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide
CID 40553494
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethylphenyl)acetamide
CID 100562771
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 78912543
2-anilino-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 119691812
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 9478267
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide
CID 4163313
4-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-methoxybutanamide
CID 120587964
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 9477708
4-amino-3-methoxy-N-(5-methoxy-2-propan-2-yloxyphenyl)butanamide
CID 120591665
[2-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl] 3,5-dimethylbenzoate
CID 9229198
(2R)-2-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 51683041

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]-3-methoxybutanamide;hydrochloride?
The IUPAC name of 4-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]-3-methoxybutanamide;hydrochloride (CID 120587300) is 4-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]-3-methoxybutanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]-3-methoxybutanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]-3-methoxybutanamide;hydrochloride is COc1ccc(OC)c(C(C)NC(=O)CC(CN)OC)c1.Cl.
What is the InChIKey of 4-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]-3-methoxybutanamide;hydrochloride?
The InChIKey is MYIXRZFODKKYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4.ClH/c1-10(17-15(18)8-12(9-16)20-3)13-7-11(19-2)5-6-14(13)21-4;/h5-7,10,12H,8-9,16H2,1-4H3,(H,17,18);1H.
What are the key properties of 4-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]-3-methoxybutanamide;hydrochloride?
4-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]-3-methoxybutanamide;hydrochloride has a molecular weight of 332.83 g/mol, XLogP of 1.67, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]-3-methoxybutanamide;hydrochloride is sourced from PubChem (CID 120587300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).