2-amino-3-methoxy-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]propanamide;hydrochloride

C20H27ClN2O4 — CID 120986679

IUPAC2-amino-3-methoxy-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]propanamide;hydrochloride
SMILESCOCC(N)C(=O)NC(C)c1ccc(OCc2ccccc2)c(OC)c1.Cl
InChIInChI=1S/C20H26N2O4.ClH/c1-14(22-20(23)17(21)13-24-2)16-9-10-18(19(11-16)25-3)26-12-15-7-5-4-6-8-15;/h4-11,14,17H,12-13,21H2,1-3H3,(H,22,23);1H
InChIKeyCVCJQTOVAWBJDI-UHFFFAOYSA-N
MW394.90 g/mol
LogP2.85
Rot. Bonds9

About 2-amino-3-methoxy-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]propanamide;hydrochloride

2-amino-3-methoxy-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]propanamide;hydrochloride (PubChem CID 120986679) has the molecular formula C20H27ClN2O4 and a molecular weight of 394.90 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methoxy-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]propanamide;hydrochloride
PubChem CID120986679
Molecular FormulaC20H27ClN2O4
Molecular Weight394.90 g/mol
Exact Mass394.17
IUPAC Name2-amino-3-methoxy-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]propanamide;hydrochloride
SMILESCOCC(N)C(=O)NC(C)c1ccc(OCc2ccccc2)c(OC)c1.Cl
InChIInChI=1S/C20H26N2O4.ClH/c1-14(22-20(23)17(21)13-24-2)16-9-10-18(19(11-16)25-3)26-12-15-7-5-4-6-8-15;/h4-11,14,17H,12-13,21H2,1-3H3,(H,22,23);1H
InChIKeyCVCJQTOVAWBJDI-UHFFFAOYSA-N
XLogP2.85
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.90
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[1-(3,4-diethoxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983475
2-amino-3-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]propanamide;hydrochloride
CID 120983886
4-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]butanamide
CID 119288244
2-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-2-methylpentanamide;hydrochloride
CID 119721271
N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 47063290
3-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 47067149
(2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylpentanamide
CID 61167349
4-methoxy-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119721259
N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-2-methyl-3-phenylsulfanylpropanamide
CID 86933705
2-amino-3-methoxy-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 81089691
(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol
CID 63364701
methyl (2S)-3-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoate
CID 67862955

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]propanamide;hydrochloride?
The IUPAC name of 2-amino-3-methoxy-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]propanamide;hydrochloride (CID 120986679) is 2-amino-3-methoxy-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methoxy-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methoxy-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]propanamide;hydrochloride is COCC(N)C(=O)NC(C)c1ccc(OCc2ccccc2)c(OC)c1.Cl.
What is the InChIKey of 2-amino-3-methoxy-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]propanamide;hydrochloride?
The InChIKey is CVCJQTOVAWBJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4.ClH/c1-14(22-20(23)17(21)13-24-2)16-9-10-18(19(11-16)25-3)26-12-15-7-5-4-6-8-15;/h4-11,14,17H,12-13,21H2,1-3H3,(H,22,23);1H.
What are the key properties of 2-amino-3-methoxy-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]propanamide;hydrochloride?
2-amino-3-methoxy-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]propanamide;hydrochloride has a molecular weight of 394.90 g/mol, XLogP of 2.85, 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-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 120986679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).