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

C18H23ClN2O3 — CID 120985987

IUPAC2-amino-3-methoxy-N-[[4-(phenoxymethyl)phenyl]methyl]propanamide;hydrochloride
SMILESCOCC(N)C(=O)NCc1ccc(COc2ccccc2)cc1.Cl
InChIInChI=1S/C18H22N2O3.ClH/c1-22-13-17(19)18(21)20-11-14-7-9-15(10-8-14)12-23-16-5-3-2-4-6-16;/h2-10,17H,11-13,19H2,1H3,(H,20,21);1H
InChIKeyMPSFQQUTTCEXJL-UHFFFAOYSA-N
MW350.85 g/mol
LogP2.28
Rot. Bonds8

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

2-amino-3-methoxy-N-[[4-(phenoxymethyl)phenyl]methyl]propanamide;hydrochloride (PubChem CID 120985987) has the molecular formula C18H23ClN2O3 and a molecular weight of 350.85 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-[[4-(phenoxymethyl)phenyl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methoxy-N-[[4-(phenoxymethyl)phenyl]methyl]propanamide;hydrochloride
PubChem CID120985987
Molecular FormulaC18H23ClN2O3
Molecular Weight350.85 g/mol
Exact Mass350.14
IUPAC Name2-amino-3-methoxy-N-[[4-(phenoxymethyl)phenyl]methyl]propanamide;hydrochloride
SMILESCOCC(N)C(=O)NCc1ccc(COc2ccccc2)cc1.Cl
InChIInChI=1S/C18H22N2O3.ClH/c1-22-13-17(19)18(21)20-11-14-7-9-15(10-8-14)12-23-16-5-3-2-4-6-16;/h2-10,17H,11-13,19H2,1H3,(H,20,21);1H
InChIKeyMPSFQQUTTCEXJL-UHFFFAOYSA-N
XLogP2.28
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-methoxy-N-[(4-phenylphenyl)methyl]propanamide
CID 68649669
2-amino-3-methoxy-N-[(4-phenylphenyl)methyl]propanamide;hydrochloride
CID 68649668
2-amino-3-methoxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]propanamide
CID 120985903
2-amino-N-[(4-ethoxyphenyl)methyl]-3-methoxypropanamide
CID 120985316
2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120985182
(2S)-2-amino-4-methyl-N-[(4-phenylmethoxyphenyl)methyl]pentanamide;hydrochloride
CID 119712185
2-amino-4-methylsulfonyl-N-[[4-(phenoxymethyl)phenyl]methyl]butanamide
CID 119956525
2-amino-3-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]propanamide;hydrochloride
CID 120983886
2-amino-3-methoxy-N-(2-phenoxyethyl)propanamide
CID 81089075
(2S)-2-amino-3-methoxy-N-[4-[(4-phenylphenyl)methoxy]phenyl]propanamide
CID 163928568
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxypropanamide
CID 81088298
2-amino-N-benzyl-5-methoxypentanamide
CID 81081027

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-[[4-(phenoxymethyl)phenyl]methyl]propanamide;hydrochloride?
The IUPAC name of 2-amino-3-methoxy-N-[[4-(phenoxymethyl)phenyl]methyl]propanamide;hydrochloride (CID 120985987) is 2-amino-3-methoxy-N-[[4-(phenoxymethyl)phenyl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methoxy-N-[[4-(phenoxymethyl)phenyl]methyl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methoxy-N-[[4-(phenoxymethyl)phenyl]methyl]propanamide;hydrochloride is COCC(N)C(=O)NCc1ccc(COc2ccccc2)cc1.Cl.
What is the InChIKey of 2-amino-3-methoxy-N-[[4-(phenoxymethyl)phenyl]methyl]propanamide;hydrochloride?
The InChIKey is MPSFQQUTTCEXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3.ClH/c1-22-13-17(19)18(21)20-11-14-7-9-15(10-8-14)12-23-16-5-3-2-4-6-16;/h2-10,17H,11-13,19H2,1H3,(H,20,21);1H.
What are the key properties of 2-amino-3-methoxy-N-[[4-(phenoxymethyl)phenyl]methyl]propanamide;hydrochloride?
2-amino-3-methoxy-N-[[4-(phenoxymethyl)phenyl]methyl]propanamide;hydrochloride has a molecular weight of 350.85 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-[[4-(phenoxymethyl)phenyl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120985987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).