2-amino-N-[[4-(ethoxymethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride

C19H25ClN2O2 — CID 119286541

IUPAC2-amino-N-[[4-(ethoxymethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride
SMILESCCOCc1ccc(CNC(=O)C(N)Cc2ccccc2)cc1.Cl
InChIInChI=1S/C19H24N2O2.ClH/c1-2-23-14-17-10-8-16(9-11-17)13-21-19(22)18(20)12-15-6-4-3-5-7-15;/h3-11,18H,2,12-14,20H2,1H3,(H,21,22);1H
InChIKeySXQGXJWHCDBOMW-UHFFFAOYSA-N
MW348.87 g/mol
LogP2.83
Rot. Bonds8

About 2-amino-N-[[4-(ethoxymethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride

2-amino-N-[[4-(ethoxymethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride (PubChem CID 119286541) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is 2-amino-N-[[4-(ethoxymethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[[4-(ethoxymethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride
PubChem CID119286541
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC Name2-amino-N-[[4-(ethoxymethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride
SMILESCCOCc1ccc(CNC(=O)C(N)Cc2ccccc2)cc1.Cl
InChIInChI=1S/C19H24N2O2.ClH/c1-2-23-14-17-10-8-16(9-11-17)13-21-19(22)18(20)12-15-6-4-3-5-7-15;/h3-11,18H,2,12-14,20H2,1H3,(H,21,22);1H
InChIKeySXQGXJWHCDBOMW-UHFFFAOYSA-N
XLogP2.83
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 119286568
2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 107231056
(2R)-2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 107231146
(2R)-2-amino-N-[[4-(phenylmethoxymethyl)phenyl]methyl]propanamide
CID 119286412
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
4-[[(2-amino-3-phenylpropanoyl)amino]methyl]-N,N-dimethylbenzamide
CID 119277683
2-amino-N-benzylpentanamide
CID 11020044
(2S)-2-amino-N-[[4-(ethoxymethyl)phenyl]methyl]-3,3-dimethylbutanamide
CID 119718278
ethyl 3-[(2-amino-3-phenylpropanoyl)amino]propanoate;hydrochloride
CID 119281055
benzyl 3-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoate;hydrochloride
CID 69462227
2-amino-N-ethoxy-3-phenylpropanamide
CID 64974799
(2S)-2-amino-N-ethoxy-3-phenylpropanamide
CID 64974630

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-(ethoxymethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[[4-(ethoxymethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride (CID 119286541) is 2-amino-N-[[4-(ethoxymethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[[4-(ethoxymethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[[4-(ethoxymethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride is CCOCc1ccc(CNC(=O)C(N)Cc2ccccc2)cc1.Cl.
What is the InChIKey of 2-amino-N-[[4-(ethoxymethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride?
The InChIKey is SXQGXJWHCDBOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2.ClH/c1-2-23-14-17-10-8-16(9-11-17)13-21-19(22)18(20)12-15-6-4-3-5-7-15;/h3-11,18H,2,12-14,20H2,1H3,(H,21,22);1H.
What are the key properties of 2-amino-N-[[4-(ethoxymethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride?
2-amino-N-[[4-(ethoxymethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride has a molecular weight of 348.87 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-(ethoxymethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119286541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).