N-[1-(1-adamantyl)ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

C22H30N2O3 — CID 42904565

IUPACN-[1-(1-adamantyl)ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1CC(=O)N(Cc2ccco2)C1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H30N2O3/c1-14(22-9-15-5-16(10-22)7-17(6-15)11-22)23-21(26)18-8-20(25)24(12-18)13-19-3-2-4-27-19/h2-4,14-18H,5-13H2,1H3,(H,23,26)
InChIKeyVCDGXUZRQPLJRY-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.35
Rot. Bonds5

About N-[1-(1-adamantyl)ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

N-[1-(1-adamantyl)ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 42904565) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID42904565
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC NameN-[1-(1-adamantyl)ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1CC(=O)N(Cc2ccco2)C1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H30N2O3/c1-14(22-9-15-5-16(10-22)7-17(6-15)11-22)23-21(26)18-8-20(25)24(12-18)13-19-3-2-4-27-19/h2-4,14-18H,5-13H2,1H3,(H,23,26)
InChIKeyVCDGXUZRQPLJRY-UHFFFAOYSA-N
XLogP3.35
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
(3S)-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 124825448
methyl (2R,3S)-3-[[(3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoate
CID 100900759
(3S)-N-[(1R)-1-(4-chlorophenyl)propyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 35751451
(3S)-1-(furan-2-ylmethyl)-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 94116635
(2S)-2-[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
CID 124701749
1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 50873925
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 55715320
methyl (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 42579834
1-(furan-2-ylmethyl)-5-oxo-N-[4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 55887280
1-(furan-2-ylmethyl)-5-oxo-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide
CID 51203979
(3R)-3-[[(3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
CID 124694017

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (CID 42904565) is N-[1-(1-adamantyl)ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is CC(NC(=O)C1CC(=O)N(Cc2ccco2)C1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VCDGXUZRQPLJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-14(22-9-15-5-16(10-22)7-17(6-15)11-22)23-21(26)18-8-20(25)24(12-18)13-19-3-2-4-27-19/h2-4,14-18H,5-13H2,1H3,(H,23,26).
What are the key properties of N-[1-(1-adamantyl)ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
N-[1-(1-adamantyl)ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 370.49 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 42904565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).