3-[acetyl(oxolan-2-ylmethyl)amino]-N-(3-phenylpropyl)propanamide

C19H28N2O3 — CID 113117320

IUPAC3-[acetyl(oxolan-2-ylmethyl)amino]-N-(3-phenylpropyl)propanamide
SMILESCC(=O)N(CCC(=O)NCCCc1ccccc1)CC1CCCO1
InChIInChI=1S/C19H28N2O3/c1-16(22)21(15-18-10-6-14-24-18)13-11-19(23)20-12-5-9-17-7-3-2-4-8-17/h2-4,7-8,18H,5-6,9-15H2,1H3,(H,20,23)
InChIKeyAPDIEFICHFMIST-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.15
Rot. Bonds9

About 3-[acetyl(oxolan-2-ylmethyl)amino]-N-(3-phenylpropyl)propanamide

3-[acetyl(oxolan-2-ylmethyl)amino]-N-(3-phenylpropyl)propanamide (PubChem CID 113117320) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 3-[acetyl(oxolan-2-ylmethyl)amino]-N-(3-phenylpropyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(oxolan-2-ylmethyl)amino]-N-(3-phenylpropyl)propanamide
PubChem CID113117320
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name3-[acetyl(oxolan-2-ylmethyl)amino]-N-(3-phenylpropyl)propanamide
SMILESCC(=O)N(CCC(=O)NCCCc1ccccc1)CC1CCCO1
InChIInChI=1S/C19H28N2O3/c1-16(22)21(15-18-10-6-14-24-18)13-11-19(23)20-12-5-9-17-7-3-2-4-8-17/h2-4,7-8,18H,5-6,9-15H2,1H3,(H,20,23)
InChIKeyAPDIEFICHFMIST-UHFFFAOYSA-N
XLogP2.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[acetyl(oxolan-2-ylmethyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 113117294
3-[acetyl(oxolan-2-ylmethyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 113117302
3-[acetyl(oxolan-2-ylmethyl)amino]-N-(2-tert-butylphenyl)propanamide
CID 113117359
2-[acetyl(2-phenylethyl)amino]-N-(oxolan-2-ylmethyl)acetamide
CID 113163958
N'-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenylethyl)butanediamide
CID 7303399
N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 71993848
2-[acetyl(oxolan-2-ylmethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113160229
4-(oxolan-2-ylmethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 75889826
N-(oxolan-2-ylmethyl)-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 113117299
N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]-2-(4-methylphenoxy)acetamide
CID 113053433
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(3-phenylpropyl)propanamide
CID 113120960
3-[acetyl(oxolan-2-ylmethyl)amino]-N-[4-(dimethylamino)phenyl]propanamide
CID 113117399

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(oxolan-2-ylmethyl)amino]-N-(3-phenylpropyl)propanamide?
The IUPAC name of 3-[acetyl(oxolan-2-ylmethyl)amino]-N-(3-phenylpropyl)propanamide (CID 113117320) is 3-[acetyl(oxolan-2-ylmethyl)amino]-N-(3-phenylpropyl)propanamide.
What is the SMILES notation for 3-[acetyl(oxolan-2-ylmethyl)amino]-N-(3-phenylpropyl)propanamide?
The canonical SMILES for 3-[acetyl(oxolan-2-ylmethyl)amino]-N-(3-phenylpropyl)propanamide is CC(=O)N(CCC(=O)NCCCc1ccccc1)CC1CCCO1.
What is the InChIKey of 3-[acetyl(oxolan-2-ylmethyl)amino]-N-(3-phenylpropyl)propanamide?
The InChIKey is APDIEFICHFMIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-16(22)21(15-18-10-6-14-24-18)13-11-19(23)20-12-5-9-17-7-3-2-4-8-17/h2-4,7-8,18H,5-6,9-15H2,1H3,(H,20,23).
What are the key properties of 3-[acetyl(oxolan-2-ylmethyl)amino]-N-(3-phenylpropyl)propanamide?
3-[acetyl(oxolan-2-ylmethyl)amino]-N-(3-phenylpropyl)propanamide has a molecular weight of 332.44 g/mol, XLogP of 2.15, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(oxolan-2-ylmethyl)amino]-N-(3-phenylpropyl)propanamide is sourced from PubChem (CID 113117320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).