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

C18H22N2O2 — CID 119299639

IUPAC2-amino-N-[3-(4-methoxyphenyl)propyl]-2-phenylacetamide
SMILESCOc1ccc(CCCNC(=O)C(N)c2ccccc2)cc1
InChIInChI=1S/C18H22N2O2/c1-22-16-11-9-14(10-12-16)6-5-13-20-18(21)17(19)15-7-3-2-4-8-15/h2-4,7-12,17H,5-6,13,19H2,1H3,(H,20,21)
InChIKeyWOZCNLCJBGQWAD-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.44
Rot. Bonds7

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

2-amino-N-[3-(4-methoxyphenyl)propyl]-2-phenylacetamide (PubChem CID 119299639) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-amino-N-[3-(4-methoxyphenyl)propyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-amino-N-[3-(4-methoxyphenyl)propyl]-2-phenylacetamide
PubChem CID119299639
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-amino-N-[3-(4-methoxyphenyl)propyl]-2-phenylacetamide
SMILESCOc1ccc(CCCNC(=O)C(N)c2ccccc2)cc1
InChIInChI=1S/C18H22N2O2/c1-22-16-11-9-14(10-12-16)6-5-13-20-18(21)17(19)15-7-3-2-4-8-15/h2-4,7-12,17H,5-6,13,19H2,1H3,(H,20,21)
InChIKeyWOZCNLCJBGQWAD-UHFFFAOYSA-N
XLogP2.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119673161
2-amino-N-(3-methoxypropyl)-2-phenylacetamide;hydrochloride
CID 119262550
(2S)-N-[3-(4-methoxyphenyl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 100758648
2-amino-N-[2-(4-methoxyphenoxy)propyl]-2-phenylacetamide;hydrochloride
CID 119290481
3-amino-N-[2-(4-methoxyphenyl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119948729
(2R)-2-amino-N-[3-(2-methoxyethoxy)propyl]-2-phenylacetamide
CID 61275798
N-[3-(4-methoxyphenyl)propyl]-2-(4-phenylphenyl)acetamide
CID 100516355
4-amino-N-[3-(4-methoxyphenyl)propyl]pentanamide
CID 120560980
2-amino-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 119299625
2-amino-2-phenyl-N-[2-(2,4,6-trimethoxyphenyl)ethyl]acetamide;hydrochloride
CID 119320830
N-[3-(4-methoxyphenyl)propyl]-3-[(2-phenylacetyl)amino]propanamide
CID 55919627
2-amino-N-(5-hydroxypentyl)-2-phenylacetamide
CID 69266542

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(4-methoxyphenyl)propyl]-2-phenylacetamide?
The IUPAC name of 2-amino-N-[3-(4-methoxyphenyl)propyl]-2-phenylacetamide (CID 119299639) is 2-amino-N-[3-(4-methoxyphenyl)propyl]-2-phenylacetamide.
What is the SMILES notation for 2-amino-N-[3-(4-methoxyphenyl)propyl]-2-phenylacetamide?
The canonical SMILES for 2-amino-N-[3-(4-methoxyphenyl)propyl]-2-phenylacetamide is COc1ccc(CCCNC(=O)C(N)c2ccccc2)cc1.
What is the InChIKey of 2-amino-N-[3-(4-methoxyphenyl)propyl]-2-phenylacetamide?
The InChIKey is WOZCNLCJBGQWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-22-16-11-9-14(10-12-16)6-5-13-20-18(21)17(19)15-7-3-2-4-8-15/h2-4,7-12,17H,5-6,13,19H2,1H3,(H,20,21).
What are the key properties of 2-amino-N-[3-(4-methoxyphenyl)propyl]-2-phenylacetamide?
2-amino-N-[3-(4-methoxyphenyl)propyl]-2-phenylacetamide has a molecular weight of 298.39 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(4-methoxyphenyl)propyl]-2-phenylacetamide is sourced from PubChem (CID 119299639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).