2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(3-hydroxypropyl)-3-phenylpropanamide

C22H28N2O4 — CID 133236493

IUPAC2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(3-hydroxypropyl)-3-phenylpropanamide
SMILESCOc1ccc(CN(C(C)=O)C(Cc2ccccc2)C(=O)NCCCO)cc1
InChIInChI=1S/C22H28N2O4/c1-17(26)24(16-19-9-11-20(28-2)12-10-19)21(22(27)23-13-6-14-25)15-18-7-4-3-5-8-18/h3-5,7-12,21,25H,6,13-16H2,1-2H3,(H,23,27)
InChIKeyWERJXMHGURKUHK-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.15
Rot. Bonds10

About 2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(3-hydroxypropyl)-3-phenylpropanamide

2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(3-hydroxypropyl)-3-phenylpropanamide (PubChem CID 133236493) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(3-hydroxypropyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(3-hydroxypropyl)-3-phenylpropanamide
PubChem CID133236493
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(3-hydroxypropyl)-3-phenylpropanamide
SMILESCOc1ccc(CN(C(C)=O)C(Cc2ccccc2)C(=O)NCCCO)cc1
InChIInChI=1S/C22H28N2O4/c1-17(26)24(16-19-9-11-20(28-2)12-10-19)21(22(27)23-13-6-14-25)15-18-7-4-3-5-8-18/h3-5,7-12,21,25H,6,13-16H2,1-2H3,(H,23,27)
InChIKeyWERJXMHGURKUHK-UHFFFAOYSA-N
XLogP2.15
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.15
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

N-[1-(3-hydroxypropylamino)-1-oxo-3-phenylpropan-2-yl]-N-[(4-methoxyphenyl)methyl]butanamide
CID 133236541
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(3-ethoxypropyl)-3-phenylpropanamide
CID 133236504
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide
CID 133236497
2-[(4-methoxyphenyl)methyl-propanoylamino]-N-pentyl-3-phenylpropanamide
CID 133240945
N-[(4-methoxyphenyl)methyl]-N-[1-(3-methoxypropylamino)-1-oxo-3-phenylpropan-2-yl]-2-methylpropanamide
CID 133236577
2-[benzyl-(2-phenoxyacetyl)amino]-N-(3-hydroxypropyl)-3-phenylpropanamide
CID 133214190
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]-3-phenylpropanamide
CID 133236412
(2R)-2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-butyl-3-phenylpropanamide
CID 100579080
2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-pentyl-3-phenylpropanamide
CID 133236729
2-[(4-methoxyphenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-pentyl-3-phenylpropanamide
CID 133236484
2-[benzyl(3-phenylpropanoyl)amino]-N-[(4-methoxyphenyl)methyl]-3-phenylpropanamide
CID 133214141
N-benzyl-N-[(2R)-1-(butylamino)-1-oxo-3-phenylpropan-2-yl]-4-(4-methoxyphenoxy)butanamide
CID 100583526

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(3-hydroxypropyl)-3-phenylpropanamide?
The IUPAC name of 2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(3-hydroxypropyl)-3-phenylpropanamide (CID 133236493) is 2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(3-hydroxypropyl)-3-phenylpropanamide.
What is the SMILES notation for 2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(3-hydroxypropyl)-3-phenylpropanamide?
The canonical SMILES for 2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(3-hydroxypropyl)-3-phenylpropanamide is COc1ccc(CN(C(C)=O)C(Cc2ccccc2)C(=O)NCCCO)cc1.
What is the InChIKey of 2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(3-hydroxypropyl)-3-phenylpropanamide?
The InChIKey is WERJXMHGURKUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-17(26)24(16-19-9-11-20(28-2)12-10-19)21(22(27)23-13-6-14-25)15-18-7-4-3-5-8-18/h3-5,7-12,21,25H,6,13-16H2,1-2H3,(H,23,27).
What are the key properties of 2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(3-hydroxypropyl)-3-phenylpropanamide?
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(3-hydroxypropyl)-3-phenylpropanamide has a molecular weight of 384.48 g/mol, XLogP of 2.15, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(3-hydroxypropyl)-3-phenylpropanamide is sourced from PubChem (CID 133236493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).