3-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride

C19H24ClN3O3 — CID 119950653

IUPAC3-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride
SMILESCCOc1ccc(NC(=O)CNC(=O)CC(N)c2ccccc2)cc1.Cl
InChIInChI=1S/C19H23N3O3.ClH/c1-2-25-16-10-8-15(9-11-16)22-19(24)13-21-18(23)12-17(20)14-6-4-3-5-7-14;/h3-11,17H,2,12-13,20H2,1H3,(H,21,23)(H,22,24);1H
InChIKeyZONOMPXBKFHVQG-UHFFFAOYSA-N
MW377.87 g/mol
LogP2.65
Rot. Bonds8

About 3-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride

3-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride (PubChem CID 119950653) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is 3-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride
PubChem CID119950653
Molecular FormulaC19H24ClN3O3
Molecular Weight377.87 g/mol
Exact Mass377.15
IUPAC Name3-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride
SMILESCCOc1ccc(NC(=O)CNC(=O)CC(N)c2ccccc2)cc1.Cl
InChIInChI=1S/C19H23N3O3.ClH/c1-2-25-16-10-8-15(9-11-16)22-19(24)13-21-18(23)12-17(20)14-6-4-3-5-7-14;/h3-11,17H,2,12-13,20H2,1H3,(H,21,23)(H,22,24);1H
InChIKeyZONOMPXBKFHVQG-UHFFFAOYSA-N
XLogP2.65
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[4-(2-methoxyethoxy)phenyl]-3-phenylpropanamide
CID 119949874
N-(4-ethoxyphenyl)-3,3-diphenylpropanamide
CID 836173
4-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]pentanamide
CID 120561379
methyl 4-[4-[(3-amino-3-phenylpropanoyl)amino]phenoxy]butanoate;hydrochloride
CID 119951488
N-(4-ethoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898537
N-(4-ethoxyphenyl)-2-(1-phenylpropylamino)acetamide
CID 54845214
(2S)-2-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]-3-methylbutanamide
CID 81425570
N-(2-amino-2-phenylethyl)-2-(4-ethoxyphenoxy)acetamide;hydrochloride
CID 119528609
3-amino-N-[4-(cyclopropylmethoxy)phenyl]-3-phenylpropanamide
CID 119951561
(3S)-3-amino-3-(4-methoxyphenyl)-N-phenylpropanamide
CID 101486990
methyl (3R)-3-amino-3-(4-ethoxyphenyl)propanoate;hydrochloride
CID 171246532
3-amino-N-[3-(4-methylphenoxy)propyl]-3-phenylpropanamide
CID 119950794

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride (CID 119950653) is 3-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride is CCOc1ccc(NC(=O)CNC(=O)CC(N)c2ccccc2)cc1.Cl.
What is the InChIKey of 3-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride?
The InChIKey is ZONOMPXBKFHVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3.ClH/c1-2-25-16-10-8-15(9-11-16)22-19(24)13-21-18(23)12-17(20)14-6-4-3-5-7-14;/h3-11,17H,2,12-13,20H2,1H3,(H,21,23)(H,22,24);1H.
What are the key properties of 3-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride?
3-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride has a molecular weight of 377.87 g/mol, XLogP of 2.65, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119950653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).