N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]oxane-4-carboxamide

C17H28N2O3 — CID 45227367

IUPACN-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]oxane-4-carboxamide
SMILESO=C(NC1CC(=O)N(CC2CCCCC2)C1)C1CCOCC1
InChIInChI=1S/C17H28N2O3/c20-16-10-15(18-17(21)14-6-8-22-9-7-14)12-19(16)11-13-4-2-1-3-5-13/h13-15H,1-12H2,(H,18,21)
InChIKeyCULNZAATYJXZEJ-UHFFFAOYSA-N
MW308.42 g/mol
LogP1.71
Rot. Bonds4

About N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]oxane-4-carboxamide

N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]oxane-4-carboxamide (PubChem CID 45227367) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]oxane-4-carboxamide
PubChem CID45227367
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC NameN-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]oxane-4-carboxamide
SMILESO=C(NC1CC(=O)N(CC2CCCCC2)C1)C1CCOCC1
InChIInChI=1S/C17H28N2O3/c20-16-10-15(18-17(21)14-6-8-22-9-7-14)12-19(16)11-13-4-2-1-3-5-13/h13-15H,1-12H2,(H,18,21)
InChIKeyCULNZAATYJXZEJ-UHFFFAOYSA-N
XLogP1.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[rel-(3R,4S)-1-(2-ethoxyethyl)-4-propyl-3-pyrrolidinyl]tetrahydro-2H-pyran-4-carboxamide hydrochloride
CID 72895452
N-[1-(2,2-dimethylpropyl)-5-oxo-3-pyrrolidinyl]tetrahydro-2H-pyran-4-carboxamide
CID 45203587
N-[(1-ethyl-2-pyrrolidinyl)methyl]-3-[1-(tetrahydro-2H-pyran-4-ylcarbonyl)-4-piperidinyl]propanamide
CID 45220917
Methyl 4-{[1-(cyclohexylmethyl)-5-oxo-3-pyrrolidinyl]amino}-4-oxobutanoate
CID 45223728
4-[(1-Acetyl-4-piperidinyl)amino]-1-(cyclohexylmethyl)-2-pyrrolidinone
CID 45224667
N-(5-oxo-1-propylpyrrolidin-3-yl)-1-(tetrahydro-2H-pyran-4-yl)piperidine-4-carboxamide formate
CID 131911120
(S)-(3-Aminopyrrolidin-1-yl)(tetrahydro-2H-pyran-4-yl)methanone
CID 53256339
(2R)-N-cyclohexyl-1-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide
CID 60053572
1-(Oxane-4-carbonyl)pyrrolidin-3-amine
CID 62068425
(2S)-N-(2-cyclohexylethyl)-1-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide
CID 70876379
N-[(3R)-1-methylpyrrolidin-3-yl]oxane-4-carboxamide
CID 90442600
N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxane-4-carboxamide
CID 130272224

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]oxane-4-carboxamide?
The IUPAC name of N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]oxane-4-carboxamide (CID 45227367) is N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]oxane-4-carboxamide?
The canonical SMILES for N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]oxane-4-carboxamide is O=C(NC1CC(=O)N(CC2CCCCC2)C1)C1CCOCC1.
What is the InChIKey of N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]oxane-4-carboxamide?
The InChIKey is CULNZAATYJXZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c20-16-10-15(18-17(21)14-6-8-22-9-7-14)12-19(16)11-13-4-2-1-3-5-13/h13-15H,1-12H2,(H,18,21).
What are the key properties of N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]oxane-4-carboxamide?
N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]oxane-4-carboxamide has a molecular weight of 308.42 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]oxane-4-carboxamide is sourced from PubChem (CID 45227367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).