2-amino-3-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]propanamide;hydrochloride

C19H25ClN2O4 — CID 120983886

IUPAC2-amino-3-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]propanamide;hydrochloride
SMILESCOCC(N)C(=O)NCc1ccc(OCc2ccccc2)c(OC)c1.Cl
InChIInChI=1S/C19H24N2O4.ClH/c1-23-13-16(20)19(22)21-11-15-8-9-17(18(10-15)24-2)25-12-14-6-4-3-5-7-14;/h3-10,16H,11-13,20H2,1-2H3,(H,21,22);1H
InChIKeyYIISKHOEQIYVBO-UHFFFAOYSA-N
MW380.87 g/mol
LogP2.29
Rot. Bonds9

About 2-amino-3-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]propanamide;hydrochloride

2-amino-3-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]propanamide;hydrochloride (PubChem CID 120983886) has the molecular formula C19H25ClN2O4 and a molecular weight of 380.87 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]propanamide;hydrochloride
PubChem CID120983886
Molecular FormulaC19H25ClN2O4
Molecular Weight380.87 g/mol
Exact Mass380.15
IUPAC Name2-amino-3-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]propanamide;hydrochloride
SMILESCOCC(N)C(=O)NCc1ccc(OCc2ccccc2)c(OC)c1.Cl
InChIInChI=1S/C19H24N2O4.ClH/c1-23-13-16(20)19(22)21-11-15-8-9-17(18(10-15)24-2)25-12-14-6-4-3-5-7-14;/h3-10,16H,11-13,20H2,1-2H3,(H,21,22);1H
InChIKeyYIISKHOEQIYVBO-UHFFFAOYSA-N
XLogP2.29
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.87
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide
CID 119271942
2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylpentanamide;hydrochloride
CID 119690822
2-amino-3-methoxy-N-[[4-(phenoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 120985987
2-amino-3-methoxy-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]propanamide;hydrochloride
CID 120986679
4-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide
CID 120559289
2-amino-N-[(3,4-dimethoxyphenyl)methyl]-4-methoxybutanamide
CID 62473722
[1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate
CID 55419475
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanamide
CID 27865842
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]cyclopropanecarboxamide
CID 9325326
4-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-4-oxobutanoate
CID 9151302
2-(4-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865855
2-amino-3-methoxy-N-[(4-phenylphenyl)methyl]propanamide
CID 68649669

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]propanamide;hydrochloride?
The IUPAC name of 2-amino-3-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]propanamide;hydrochloride (CID 120983886) is 2-amino-3-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]propanamide;hydrochloride is COCC(N)C(=O)NCc1ccc(OCc2ccccc2)c(OC)c1.Cl.
What is the InChIKey of 2-amino-3-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]propanamide;hydrochloride?
The InChIKey is YIISKHOEQIYVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4.ClH/c1-23-13-16(20)19(22)21-11-15-8-9-17(18(10-15)24-2)25-12-14-6-4-3-5-7-14;/h3-10,16H,11-13,20H2,1-2H3,(H,21,22);1H.
What are the key properties of 2-amino-3-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]propanamide;hydrochloride?
2-amino-3-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]propanamide;hydrochloride has a molecular weight of 380.87 g/mol, XLogP of 2.29, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 120983886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).