2-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-2-phenylpropanamide

C21H28N2O3 — CID 120592359

IUPAC2-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-2-phenylpropanamide
SMILESCCOc1cc(CCCNC(=O)C(C)(N)c2ccccc2)ccc1OC
InChIInChI=1S/C21H28N2O3/c1-4-26-19-15-16(12-13-18(19)25-3)9-8-14-23-20(24)21(2,22)17-10-6-5-7-11-17/h5-7,10-13,15H,4,8-9,14,22H2,1-3H3,(H,23,24)
InChIKeyGJHVXWCIILQYGT-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.02
Rot. Bonds9

About 2-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-2-phenylpropanamide

2-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-2-phenylpropanamide (PubChem CID 120592359) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-2-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-2-phenylpropanamide
PubChem CID120592359
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name2-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-2-phenylpropanamide
SMILESCCOc1cc(CCCNC(=O)C(C)(N)c2ccccc2)ccc1OC
InChIInChI=1S/C21H28N2O3/c1-4-26-19-15-16(12-13-18(19)25-3)9-8-14-23-20(24)21(2,22)17-10-6-5-7-11-17/h5-7,10-13,15H,4,8-9,14,22H2,1-3H3,(H,23,24)
InChIKeyGJHVXWCIILQYGT-UHFFFAOYSA-N
XLogP3.02
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-phenylpropanamide;hydrochloride
CID 120592099
2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-2-phenylpropanamide
CID 120588376
2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-2-phenylpropanamide;hydrochloride
CID 120588375
2-(3-ethoxy-4-methoxyphenyl)ethylcarbamic acid
CID 16638088
2-[[N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-N'-methylcarbamimidoyl]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111574220
N-benzyl-2-[[N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-N'-methylcarbamimidoyl]amino]acetamide;hydroiodide
CID 111573992
cis-(1S,2R)-2-[3-(3-ethoxy-4-methoxyphenyl)propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125150507
N-[3-(3-ethoxy-4-methoxyphenyl)propyl]oxetane-2-carboxamide
CID 75392355
2-[(3,4-dimethoxyphenyl)methyl]-1-[3-(3-ethoxy-4-methoxyphenyl)propyl]guanidine
CID 111812363
1-[3-(3,4-dimethoxyphenyl)propyl]-3-phenylurea
CID 48559749
1-benzyl-3-[3-(3-ethoxy-4-methoxyphenyl)propyl]-2-methylguanidine;hydroiodide
CID 111574352
tert-butyl N-[3-[[N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-N'-methylcarbamimidoyl]amino]propyl]carbamate;hydroiodide
CID 111573976

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-2-phenylpropanamide?
The IUPAC name of 2-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-2-phenylpropanamide (CID 120592359) is 2-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-2-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-2-phenylpropanamide?
The canonical SMILES for 2-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-2-phenylpropanamide is CCOc1cc(CCCNC(=O)C(C)(N)c2ccccc2)ccc1OC.
What is the InChIKey of 2-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-2-phenylpropanamide?
The InChIKey is GJHVXWCIILQYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-4-26-19-15-16(12-13-18(19)25-3)9-8-14-23-20(24)21(2,22)17-10-6-5-7-11-17/h5-7,10-13,15H,4,8-9,14,22H2,1-3H3,(H,23,24).
What are the key properties of 2-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-2-phenylpropanamide?
2-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-2-phenylpropanamide has a molecular weight of 356.47 g/mol, XLogP of 3.02, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-2-phenylpropanamide is sourced from PubChem (CID 120592359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).