4-[(2S)-2-formylpyrrolidin-1-yl]-N-(furan-2-ylmethyl)-4-oxobutanamide

C14H18N2O4 — CID 14674759

IUPAC4-[(2S)-2-formylpyrrolidin-1-yl]-N-(furan-2-ylmethyl)-4-oxobutanamide
SMILESO=C[C@@H]1CCCN1C(=O)CCC(=O)NCc1ccco1
InChIInChI=1S/C14H18N2O4/c17-10-11-3-1-7-16(11)14(19)6-5-13(18)15-9-12-4-2-8-20-12/h2,4,8,10-11H,1,3,5-7,9H2,(H,15,18)/t11-/m0/s1
InChIKeyQTRDOMANGXJOHQ-NSHDSACASA-N
MW278.31 g/mol
LogP0.87
Rot. Bonds6

About 4-[(2S)-2-formylpyrrolidin-1-yl]-N-(furan-2-ylmethyl)-4-oxobutanamide

4-[(2S)-2-formylpyrrolidin-1-yl]-N-(furan-2-ylmethyl)-4-oxobutanamide (PubChem CID 14674759) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-[(2S)-2-formylpyrrolidin-1-yl]-N-(furan-2-ylmethyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-[(2S)-2-formylpyrrolidin-1-yl]-N-(furan-2-ylmethyl)-4-oxobutanamide
PubChem CID14674759
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name4-[(2S)-2-formylpyrrolidin-1-yl]-N-(furan-2-ylmethyl)-4-oxobutanamide
SMILESO=C[C@@H]1CCCN1C(=O)CCC(=O)NCc1ccco1
InChIInChI=1S/C14H18N2O4/c17-10-11-3-1-7-16(11)14(19)6-5-13(18)15-9-12-4-2-8-20-12/h2,4,8,10-11H,1,3,5-7,9H2,(H,15,18)/t11-/m0/s1
InChIKeyQTRDOMANGXJOHQ-NSHDSACASA-N
XLogP0.87
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-4-oxo-4-piperidin-1-ylbutanamide
CID 865161
tert-butyl 2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carboxylate
CID 51147296
N-(furan-2-ylmethyl)-4-oxo-4-[(1R)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]butanamide
CID 129384304
3-(azepan-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 109018473
N-(furan-2-ylmethyl)-3-piperidin-1-ylpropanamide
CID 110688280
3-(azepan-1-yl)-N-(furan-2-ylmethyl)-3-oxopropanamide
CID 108945088
N-(furan-2-ylmethyl)-3-hydroxypropanamide
CID 82111306
N-(furan-2-ylmethyl)-2-[(3R)-3-hydroxypiperidin-1-yl]acetamide
CID 29231189
4-[(1R)-1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(furan-2-ylmethyl)-4-oxobutanamide
CID 93304883
2-[[4-(furan-2-ylmethylamino)-4-oxobutanoyl]amino]acetic acid
CID 82042115
2-(4-ethoxypiperidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 52728905
N-(furan-2-ylmethyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutanamide
CID 3980124

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-formylpyrrolidin-1-yl]-N-(furan-2-ylmethyl)-4-oxobutanamide?
The IUPAC name of 4-[(2S)-2-formylpyrrolidin-1-yl]-N-(furan-2-ylmethyl)-4-oxobutanamide (CID 14674759) is 4-[(2S)-2-formylpyrrolidin-1-yl]-N-(furan-2-ylmethyl)-4-oxobutanamide.
What is the SMILES notation for 4-[(2S)-2-formylpyrrolidin-1-yl]-N-(furan-2-ylmethyl)-4-oxobutanamide?
The canonical SMILES for 4-[(2S)-2-formylpyrrolidin-1-yl]-N-(furan-2-ylmethyl)-4-oxobutanamide is O=C[C@@H]1CCCN1C(=O)CCC(=O)NCc1ccco1.
What is the InChIKey of 4-[(2S)-2-formylpyrrolidin-1-yl]-N-(furan-2-ylmethyl)-4-oxobutanamide?
The InChIKey is QTRDOMANGXJOHQ-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N2O4/c17-10-11-3-1-7-16(11)14(19)6-5-13(18)15-9-12-4-2-8-20-12/h2,4,8,10-11H,1,3,5-7,9H2,(H,15,18)/t11-/m0/s1.
What are the key properties of 4-[(2S)-2-formylpyrrolidin-1-yl]-N-(furan-2-ylmethyl)-4-oxobutanamide?
4-[(2S)-2-formylpyrrolidin-1-yl]-N-(furan-2-ylmethyl)-4-oxobutanamide has a molecular weight of 278.31 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-formylpyrrolidin-1-yl]-N-(furan-2-ylmethyl)-4-oxobutanamide is sourced from PubChem (CID 14674759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).