N-(furan-2-ylmethyl)-1-(3-phenoxypropyl)pyrrolidine-2-carboxamide

C19H24N2O3 — CID 42885954

IUPACN-(furan-2-ylmethyl)-1-(3-phenoxypropyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccco1)C1CCCN1CCCOc1ccccc1
InChIInChI=1S/C19H24N2O3/c22-19(20-15-17-9-5-13-24-17)18-10-4-11-21(18)12-6-14-23-16-7-2-1-3-8-16/h1-3,5,7-9,13,18H,4,6,10-12,14-15H2,(H,20,22)
InChIKeyYINHUNISGJVAPE-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.83
Rot. Bonds8

About N-(furan-2-ylmethyl)-1-(3-phenoxypropyl)pyrrolidine-2-carboxamide

N-(furan-2-ylmethyl)-1-(3-phenoxypropyl)pyrrolidine-2-carboxamide (PubChem CID 42885954) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-(3-phenoxypropyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-(3-phenoxypropyl)pyrrolidine-2-carboxamide
PubChem CID42885954
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-(furan-2-ylmethyl)-1-(3-phenoxypropyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccco1)C1CCCN1CCCOc1ccccc1
InChIInChI=1S/C19H24N2O3/c22-19(20-15-17-9-5-13-24-17)18-10-4-11-21(18)12-6-14-23-16-7-2-1-3-8-16/h1-3,5,7-9,13,18H,4,6,10-12,14-15H2,(H,20,22)
InChIKeyYINHUNISGJVAPE-UHFFFAOYSA-N
XLogP2.83
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-1-(2-hydroxybutyl)pyrrolidine-2-carboxamide
CID 111123272
(2S)-1-[(4-cyanophenyl)methyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 38774108
N-(furan-2-ylmethyl)-1-[2-(4-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 55578958
1-(3-carbazol-9-yl-2-hydroxypropyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 78857113
N-(furan-2-ylmethyl)-1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 85487201
1-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 154838099
1-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 75438534
1-(5-phenoxypentyl)piperidine-2-carboxylic acid
CID 122040490
4-[2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120672807
(2R)-N-(furan-2-ylmethyl)-1-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 99636768
N-(furan-2-ylmethyl)-1-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 86805078
1-(2-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 55598353

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-(3-phenoxypropyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-(3-phenoxypropyl)pyrrolidine-2-carboxamide (CID 42885954) is N-(furan-2-ylmethyl)-1-(3-phenoxypropyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-(3-phenoxypropyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-(3-phenoxypropyl)pyrrolidine-2-carboxamide is O=C(NCc1ccco1)C1CCCN1CCCOc1ccccc1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-(3-phenoxypropyl)pyrrolidine-2-carboxamide?
The InChIKey is YINHUNISGJVAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c22-19(20-15-17-9-5-13-24-17)18-10-4-11-21(18)12-6-14-23-16-7-2-1-3-8-16/h1-3,5,7-9,13,18H,4,6,10-12,14-15H2,(H,20,22).
What are the key properties of N-(furan-2-ylmethyl)-1-(3-phenoxypropyl)pyrrolidine-2-carboxamide?
N-(furan-2-ylmethyl)-1-(3-phenoxypropyl)pyrrolidine-2-carboxamide has a molecular weight of 328.41 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-(3-phenoxypropyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 42885954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).