3-amino-N-[(2-ethoxy-4-methylphenyl)methyl]-3-phenylpropanamide

C19H24N2O2 — CID 119952264

IUPAC3-amino-N-[(2-ethoxy-4-methylphenyl)methyl]-3-phenylpropanamide
SMILESCCOc1cc(C)ccc1CNC(=O)CC(N)c1ccccc1
InChIInChI=1S/C19H24N2O2/c1-3-23-18-11-14(2)9-10-16(18)13-21-19(22)12-17(20)15-7-5-4-6-8-15/h4-11,17H,3,12-13,20H2,1-2H3,(H,21,22)
InChIKeyZGFQQZUSJUJZTE-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.10
Rot. Bonds7

About 3-amino-N-[(2-ethoxy-4-methylphenyl)methyl]-3-phenylpropanamide

3-amino-N-[(2-ethoxy-4-methylphenyl)methyl]-3-phenylpropanamide (PubChem CID 119952264) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 3-amino-N-[(2-ethoxy-4-methylphenyl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[(2-ethoxy-4-methylphenyl)methyl]-3-phenylpropanamide
PubChem CID119952264
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name3-amino-N-[(2-ethoxy-4-methylphenyl)methyl]-3-phenylpropanamide
SMILESCCOc1cc(C)ccc1CNC(=O)CC(N)c1ccccc1
InChIInChI=1S/C19H24N2O2/c1-3-23-18-11-14(2)9-10-16(18)13-21-19(22)12-17(20)15-7-5-4-6-8-15/h4-11,17H,3,12-13,20H2,1-2H3,(H,21,22)
InChIKeyZGFQQZUSJUJZTE-UHFFFAOYSA-N
XLogP3.10
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(2,4-dimethylphenyl)methyl]-3-phenylpropanamide
CID 119949663
4-amino-N-[(2-ethoxy-4-methylphenyl)methyl]pentanamide
CID 120563690
3-amino-N-[(2-methoxyphenyl)methyl]-3-phenylpropanamide
CID 24698834
3-amino-N-[(4-methylphenyl)methyl]-3-phenylpropanamide
CID 24705411
3-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 119949733
3-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride
CID 119949732
3-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119948782
3-amino-N-[[2-(methoxymethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride
CID 119949726
3-amino-N-[(2-ethoxyphenyl)methyl]butanamide;hydrochloride
CID 119705310
3-amino-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]-2-methyl-3-phenylpropanamide
CID 119811618
3-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-phenylpropanamide
CID 119952019
4-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-3-methoxybutanamide
CID 120593809

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-ethoxy-4-methylphenyl)methyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[(2-ethoxy-4-methylphenyl)methyl]-3-phenylpropanamide (CID 119952264) is 3-amino-N-[(2-ethoxy-4-methylphenyl)methyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[(2-ethoxy-4-methylphenyl)methyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[(2-ethoxy-4-methylphenyl)methyl]-3-phenylpropanamide is CCOc1cc(C)ccc1CNC(=O)CC(N)c1ccccc1.
What is the InChIKey of 3-amino-N-[(2-ethoxy-4-methylphenyl)methyl]-3-phenylpropanamide?
The InChIKey is ZGFQQZUSJUJZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-3-23-18-11-14(2)9-10-16(18)13-21-19(22)12-17(20)15-7-5-4-6-8-15/h4-11,17H,3,12-13,20H2,1-2H3,(H,21,22).
What are the key properties of 3-amino-N-[(2-ethoxy-4-methylphenyl)methyl]-3-phenylpropanamide?
3-amino-N-[(2-ethoxy-4-methylphenyl)methyl]-3-phenylpropanamide has a molecular weight of 312.41 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-ethoxy-4-methylphenyl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 119952264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).