3-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylpropanamide;hydrochloride

C21H29ClN2O3 — CID 119948782

IUPAC3-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylpropanamide;hydrochloride
SMILESCCOc1ccc(CCNC(=O)CC(N)c2ccccc2)cc1OCC.Cl
InChIInChI=1S/C21H28N2O3.ClH/c1-3-25-19-11-10-16(14-20(19)26-4-2)12-13-23-21(24)15-18(22)17-8-6-5-7-9-17;/h5-11,14,18H,3-4,12-13,15,22H2,1-2H3,(H,23,24);1H
InChIKeyPCOCATRUQMHYNE-UHFFFAOYSA-N
MW392.93 g/mol
LogP3.65
Rot. Bonds10

About 3-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylpropanamide;hydrochloride

3-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylpropanamide;hydrochloride (PubChem CID 119948782) has the molecular formula C21H29ClN2O3 and a molecular weight of 392.93 g/mol. Its IUPAC name is 3-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylpropanamide;hydrochloride
PubChem CID119948782
Molecular FormulaC21H29ClN2O3
Molecular Weight392.93 g/mol
Exact Mass392.19
IUPAC Name3-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylpropanamide;hydrochloride
SMILESCCOc1ccc(CCNC(=O)CC(N)c2ccccc2)cc1OCC.Cl
InChIInChI=1S/C21H28N2O3.ClH/c1-3-25-19-11-10-16(14-20(19)26-4-2)12-13-23-21(24)15-18(22)17-8-6-5-7-9-17;/h5-11,14,18H,3-4,12-13,15,22H2,1-2H3,(H,23,24);1H
InChIKeyPCOCATRUQMHYNE-UHFFFAOYSA-N
XLogP3.65
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-phenylpropanamide;hydrochloride
CID 119951056
3-amino-N-[2-(4-methoxyphenyl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119948729
2-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983522
3-amino-N-[2-(3-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 119949515
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide;hydrochloride
CID 119948750
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 19177361
3-amino-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-phenylpropanamide
CID 119949555
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-phenylphenoxy)acetamide
CID 7919539
[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate
CID 7758203
3-amino-N-[2-(4-ethoxy-3-methylphenyl)ethyl]butanamide
CID 115154337
ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate
CID 60637680
3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 38001101

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylpropanamide;hydrochloride (CID 119948782) is 3-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylpropanamide;hydrochloride is CCOc1ccc(CCNC(=O)CC(N)c2ccccc2)cc1OCC.Cl.
What is the InChIKey of 3-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylpropanamide;hydrochloride?
The InChIKey is PCOCATRUQMHYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3.ClH/c1-3-25-19-11-10-16(14-20(19)26-4-2)12-13-23-21(24)15-18(22)17-8-6-5-7-9-17;/h5-11,14,18H,3-4,12-13,15,22H2,1-2H3,(H,23,24);1H.
What are the key properties of 3-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylpropanamide;hydrochloride?
3-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylpropanamide;hydrochloride has a molecular weight of 392.93 g/mol, XLogP of 3.65, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119948782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).