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

C21H26N2O3 — CID 55919627

IUPACN-[3-(4-methoxyphenyl)propyl]-3-[(2-phenylacetyl)amino]propanamide
SMILESCOc1ccc(CCCNC(=O)CCNC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C21H26N2O3/c1-26-19-11-9-17(10-12-19)8-5-14-22-20(24)13-15-23-21(25)16-18-6-3-2-4-7-18/h2-4,6-7,9-12H,5,8,13-16H2,1H3,(H,22,24)(H,23,25)
InChIKeyBRQHAZDNPBFMAR-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.49
Rot. Bonds10

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

N-[3-(4-methoxyphenyl)propyl]-3-[(2-phenylacetyl)amino]propanamide (PubChem CID 55919627) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[3-(4-methoxyphenyl)propyl]-3-[(2-phenylacetyl)amino]propanamide.

Molecular Properties

Compound NameN-[3-(4-methoxyphenyl)propyl]-3-[(2-phenylacetyl)amino]propanamide
PubChem CID55919627
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[3-(4-methoxyphenyl)propyl]-3-[(2-phenylacetyl)amino]propanamide
SMILESCOc1ccc(CCCNC(=O)CCNC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C21H26N2O3/c1-26-19-11-9-17(10-12-19)8-5-14-22-20(24)13-15-23-21(25)16-18-6-3-2-4-7-18/h2-4,6-7,9-12H,5,8,13-16H2,1H3,(H,22,24)(H,23,25)
InChIKeyBRQHAZDNPBFMAR-UHFFFAOYSA-N
XLogP2.49
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.49
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

N-[3-(4-methoxyphenyl)propyl]-2-(4-phenylphenyl)acetamide
CID 100516355
N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-2-phenylacetamide
CID 27548820
2-(2-chlorophenyl)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 100632856
2-(4-methoxyphenyl)-N-(3-pyridin-3-ylpropyl)acetamide
CID 110400247
3-(3-methoxyphenyl)-N-(3-phenylpropyl)propanamide
CID 127121905
3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide
CID 4661025
N-[3-(2-ethoxyphenyl)propyl]-2-(4-methoxyphenyl)acetamide
CID 92673607
3-(2-methoxyethylamino)-N-(3-phenylpropyl)propanamide
CID 109015207
2-amino-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 119299625
N-[3-(4-methoxyphenyl)propyl]-3-methylsulfonylpropanamide
CID 110627872
4-amino-N-[3-(4-methoxyphenyl)propyl]pentanamide
CID 120560980
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyphenyl)propyl]-3-[(2-phenylacetyl)amino]propanamide?
The IUPAC name of N-[3-(4-methoxyphenyl)propyl]-3-[(2-phenylacetyl)amino]propanamide (CID 55919627) is N-[3-(4-methoxyphenyl)propyl]-3-[(2-phenylacetyl)amino]propanamide.
What is the SMILES notation for N-[3-(4-methoxyphenyl)propyl]-3-[(2-phenylacetyl)amino]propanamide?
The canonical SMILES for N-[3-(4-methoxyphenyl)propyl]-3-[(2-phenylacetyl)amino]propanamide is COc1ccc(CCCNC(=O)CCNC(=O)Cc2ccccc2)cc1.
What is the InChIKey of N-[3-(4-methoxyphenyl)propyl]-3-[(2-phenylacetyl)amino]propanamide?
The InChIKey is BRQHAZDNPBFMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-26-19-11-9-17(10-12-19)8-5-14-22-20(24)13-15-23-21(25)16-18-6-3-2-4-7-18/h2-4,6-7,9-12H,5,8,13-16H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-(4-methoxyphenyl)propyl]-3-[(2-phenylacetyl)amino]propanamide?
N-[3-(4-methoxyphenyl)propyl]-3-[(2-phenylacetyl)amino]propanamide has a molecular weight of 354.45 g/mol, XLogP of 2.49, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxyphenyl)propyl]-3-[(2-phenylacetyl)amino]propanamide is sourced from PubChem (CID 55919627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).