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

C19H24N2O3 — CID 113122215

IUPAC3-[acetyl(3-phenylpropyl)amino]-N-(furan-2-ylmethyl)propanamide
SMILESCC(=O)N(CCCc1ccccc1)CCC(=O)NCc1ccco1
InChIInChI=1S/C19H24N2O3/c1-16(22)21(12-5-9-17-7-3-2-4-8-17)13-11-19(23)20-15-18-10-6-14-24-18/h2-4,6-8,10,14H,5,9,11-13,15H2,1H3,(H,20,23)
InChIKeyBYQUDTQIJQPBHR-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.77
Rot. Bonds9

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

3-[acetyl(3-phenylpropyl)amino]-N-(furan-2-ylmethyl)propanamide (PubChem CID 113122215) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 3-[acetyl(3-phenylpropyl)amino]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(3-phenylpropyl)amino]-N-(furan-2-ylmethyl)propanamide
PubChem CID113122215
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name3-[acetyl(3-phenylpropyl)amino]-N-(furan-2-ylmethyl)propanamide
SMILESCC(=O)N(CCCc1ccccc1)CCC(=O)NCc1ccco1
InChIInChI=1S/C19H24N2O3/c1-16(22)21(12-5-9-17-7-3-2-4-8-17)13-11-19(23)20-15-18-10-6-14-24-18/h2-4,6-8,10,14H,5,9,11-13,15H2,1H3,(H,20,23)
InChIKeyBYQUDTQIJQPBHR-UHFFFAOYSA-N
XLogP2.77
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(furan-2-ylmethyl)propanamide
CID 113120923
3-[acetyl(3-phenylpropyl)amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113122219
3-[acetyl(pyridin-2-ylmethyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 113120169
3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(furan-2-ylmethyl)propanamide
CID 113122049
3-(N-acetyl-3,4-dimethylanilino)-N-(furan-2-ylmethyl)propanamide
CID 113124484
3-[acetyl(2-phenylethyl)amino]-N-propylpropanamide
CID 113120727
3-[acetyl(3-phenylpropyl)amino]-N-methyl-N-phenylpropanamide
CID 113122262
2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 113165276
3-[acetyl(3-phenylpropyl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 113122328
2-[acetyl(benzyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 133148522
4-[benzenesulfonyl(methyl)amino]-N-(furan-2-ylmethyl)butanamide
CID 2216242
3-[acetyl(2-phenylethyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)propanamide
CID 113120764

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(3-phenylpropyl)amino]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 3-[acetyl(3-phenylpropyl)amino]-N-(furan-2-ylmethyl)propanamide (CID 113122215) is 3-[acetyl(3-phenylpropyl)amino]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[acetyl(3-phenylpropyl)amino]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[acetyl(3-phenylpropyl)amino]-N-(furan-2-ylmethyl)propanamide is CC(=O)N(CCCc1ccccc1)CCC(=O)NCc1ccco1.
What is the InChIKey of 3-[acetyl(3-phenylpropyl)amino]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is BYQUDTQIJQPBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-16(22)21(12-5-9-17-7-3-2-4-8-17)13-11-19(23)20-15-18-10-6-14-24-18/h2-4,6-8,10,14H,5,9,11-13,15H2,1H3,(H,20,23).
What are the key properties of 3-[acetyl(3-phenylpropyl)amino]-N-(furan-2-ylmethyl)propanamide?
3-[acetyl(3-phenylpropyl)amino]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 328.41 g/mol, XLogP of 2.77, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(3-phenylpropyl)amino]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 113122215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).