3-(4-methylphenyl)-N-[2-(3-phenoxypropanoylamino)ethyl]propanamide

C21H26N2O3 — CID 108542327

IUPAC3-(4-methylphenyl)-N-[2-(3-phenoxypropanoylamino)ethyl]propanamide
SMILESCc1ccc(CCC(=O)NCCNC(=O)CCOc2ccccc2)cc1
InChIInChI=1S/C21H26N2O3/c1-17-7-9-18(10-8-17)11-12-20(24)22-14-15-23-21(25)13-16-26-19-5-3-2-4-6-19/h2-10H,11-16H2,1H3,(H,22,24)(H,23,25)
InChIKeyYZSIUCWMLWVZGR-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.63
Rot. Bonds10

About 3-(4-methylphenyl)-N-[2-(3-phenoxypropanoylamino)ethyl]propanamide

3-(4-methylphenyl)-N-[2-(3-phenoxypropanoylamino)ethyl]propanamide (PubChem CID 108542327) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-[2-(3-phenoxypropanoylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-[2-(3-phenoxypropanoylamino)ethyl]propanamide
PubChem CID108542327
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name3-(4-methylphenyl)-N-[2-(3-phenoxypropanoylamino)ethyl]propanamide
SMILESCc1ccc(CCC(=O)NCCNC(=O)CCOc2ccccc2)cc1
InChIInChI=1S/C21H26N2O3/c1-17-7-9-18(10-8-17)11-12-20(24)22-14-15-23-21(25)13-16-26-19-5-3-2-4-6-19/h2-10H,11-16H2,1H3,(H,22,24)(H,23,25)
InChIKeyYZSIUCWMLWVZGR-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
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-(4-methylphenyl)-N-(3-phenoxypropyl)propanamide
CID 10803968
N-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide
CID 5227207
phenyl N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]carbamate
CID 108574231
4-[2-[4-[2-(4-methylphenoxy)ethoxy]phenyl]ethylamino]-4-oxobutanoic acid
CID 22682762
4-[3-[3-(4-methylphenoxy)propylamino]-3-oxopropyl]benzoic acid
CID 119182918
N-[2-(4-aminophenoxy)ethyl]-3-(4-methylphenyl)propanamide
CID 84816880
N-(2-acetamidoethyl)-3-phenoxypropanamide
CID 46684252
N-[2-(4-fluorophenyl)ethyl]-3-phenoxypropanamide
CID 110755527
N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
CID 24660004
N-(2-methoxyethyl)-3-(4-methylphenyl)propanamide
CID 19220427
3-phenoxy-N-[2-(propylamino)ethyl]propanamide
CID 62658597
3-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide
CID 108538519

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-[2-(3-phenoxypropanoylamino)ethyl]propanamide?
The IUPAC name of 3-(4-methylphenyl)-N-[2-(3-phenoxypropanoylamino)ethyl]propanamide (CID 108542327) is 3-(4-methylphenyl)-N-[2-(3-phenoxypropanoylamino)ethyl]propanamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-[2-(3-phenoxypropanoylamino)ethyl]propanamide?
The canonical SMILES for 3-(4-methylphenyl)-N-[2-(3-phenoxypropanoylamino)ethyl]propanamide is Cc1ccc(CCC(=O)NCCNC(=O)CCOc2ccccc2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-[2-(3-phenoxypropanoylamino)ethyl]propanamide?
The InChIKey is YZSIUCWMLWVZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-17-7-9-18(10-8-17)11-12-20(24)22-14-15-23-21(25)13-16-26-19-5-3-2-4-6-19/h2-10H,11-16H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 3-(4-methylphenyl)-N-[2-(3-phenoxypropanoylamino)ethyl]propanamide?
3-(4-methylphenyl)-N-[2-(3-phenoxypropanoylamino)ethyl]propanamide has a molecular weight of 354.45 g/mol, XLogP of 2.63, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-[2-(3-phenoxypropanoylamino)ethyl]propanamide is sourced from PubChem (CID 108542327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).