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

C15H22N2O4 — CID 113117997

IUPAC3-[acetyl(furan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)propanamide
SMILESCC(=O)N(CCC(=O)NCC1CCCO1)Cc1ccco1
InChIInChI=1S/C15H22N2O4/c1-12(18)17(11-14-5-3-9-21-14)7-6-15(19)16-10-13-4-2-8-20-13/h3,5,9,13H,2,4,6-8,10-11H2,1H3,(H,16,19)
InChIKeyMATWYLQONUCJTD-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.31
Rot. Bonds7

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

3-[acetyl(furan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 113117997) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-[acetyl(furan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(furan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)propanamide
PubChem CID113117997
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name3-[acetyl(furan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)propanamide
SMILESCC(=O)N(CCC(=O)NCC1CCCO1)Cc1ccco1
InChIInChI=1S/C15H22N2O4/c1-12(18)17(11-14-5-3-9-21-14)7-6-15(19)16-10-13-4-2-8-20-13/h3,5,9,13H,2,4,6-8,10-11H2,1H3,(H,16,19)
InChIKeyMATWYLQONUCJTD-UHFFFAOYSA-N
XLogP1.31
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(oxolan-2-ylmethyl)propanamide
CID 113118732
N-(furan-2-ylmethyl)-N-[3-oxo-3-[[(2S)-oxolan-2-yl]methylamino]propyl]-5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide
CID 93143894
3-[acetyl(propyl)amino]-N-(oxolan-2-ylmethyl)propanamide
CID 113114927
3-[acetyl(prop-2-enyl)amino]-N-(oxolan-2-ylmethyl)propanamide
CID 113115526
2-[acetyl(propyl)amino]-N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7271437
3-(N-acetyl-4-chloroanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 113127358
3-(N-acetyl-4-tert-butylanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 113126514
3-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-(oxolan-2-ylmethyl)propanamide
CID 113121874
2-[acetyl(2-phenylethyl)amino]-N-(oxolan-2-ylmethyl)acetamide
CID 113163958
N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclopropanecarboxamide
CID 772640
3-acetamido-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 86840469
N-(furan-2-ylmethyl)-2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetamide
CID 47537569

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(furan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-[acetyl(furan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)propanamide (CID 113117997) is 3-[acetyl(furan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[acetyl(furan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[acetyl(furan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)propanamide is CC(=O)N(CCC(=O)NCC1CCCO1)Cc1ccco1.
What is the InChIKey of 3-[acetyl(furan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is MATWYLQONUCJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-12(18)17(11-14-5-3-9-21-14)7-6-15(19)16-10-13-4-2-8-20-13/h3,5,9,13H,2,4,6-8,10-11H2,1H3,(H,16,19).
What are the key properties of 3-[acetyl(furan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)propanamide?
3-[acetyl(furan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 294.35 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(furan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 113117997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).