N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]oxane-4-carboxamide

C15H26N2O3 — CID 45203587

IUPACN-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]oxane-4-carboxamide
SMILESCC(C)(C)CN1CC(NC(=O)C2CCOCC2)CC1=O
InChIInChI=1S/C15H26N2O3/c1-15(2,3)10-17-9-12(8-13(17)18)16-14(19)11-4-6-20-7-5-11/h11-12H,4-10H2,1-3H3,(H,16,19)
InChIKeyXDBOACGMSBZIKU-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.18
Rot. Bonds3

About N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]oxane-4-carboxamide

N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]oxane-4-carboxamide (PubChem CID 45203587) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]oxane-4-carboxamide
PubChem CID45203587
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC NameN-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]oxane-4-carboxamide
SMILESCC(C)(C)CN1CC(NC(=O)C2CCOCC2)CC1=O
InChIInChI=1S/C15H26N2O3/c1-15(2,3)10-17-9-12(8-13(17)18)16-14(19)11-4-6-20-7-5-11/h11-12H,4-10H2,1-3H3,(H,16,19)
InChIKeyXDBOACGMSBZIKU-UHFFFAOYSA-N
XLogP1.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]cyclopropanecarboxamide
CID 91922998
N-[2-(dimethylamino)ethyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 110876616
N-[rel-(3R,4S)-1-(2-ethoxyethyl)-4-propyl-3-pyrrolidinyl]tetrahydro-2H-pyran-4-carboxamide hydrochloride
CID 72895452
N-methyl-N-(oxan-4-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63719754
N-[1-(oxan-4-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 105809075
N-[1-(cyclohexylmethyl)-5-oxo-3-pyrrolidinyl]tetrahydro-2H-pyran-4-carboxamide
CID 45227367
N-(5-oxo-1-propylpyrrolidin-3-yl)-1-(tetrahydro-2H-pyran-4-yl)piperidine-4-carboxamide formate
CID 131911120
N-(1-aminopropan-2-yl)oxane-4-carboxamide
CID 19797577
4-Amino-1-(tetrahydro-2H-pyran-4-yl)pyrrolidin-2-one
CID 43610578
(S)-tert-Butyl 1-(tetrahydro-2H-pyran-4-carbonyl)pyrrolidin-3-ylcarbamate
CID 53256054
(S)-(3-Aminopyrrolidin-1-yl)(tetrahydro-2H-pyran-4-yl)methanone
CID 53256339
N-[(2R)-1-aminopropan-2-yl]oxane-4-carboxamide
CID 54071869

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]oxane-4-carboxamide?
The IUPAC name of N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]oxane-4-carboxamide (CID 45203587) is N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]oxane-4-carboxamide?
The canonical SMILES for N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]oxane-4-carboxamide is CC(C)(C)CN1CC(NC(=O)C2CCOCC2)CC1=O.
What is the InChIKey of N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]oxane-4-carboxamide?
The InChIKey is XDBOACGMSBZIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-15(2,3)10-17-9-12(8-13(17)18)16-14(19)11-4-6-20-7-5-11/h11-12H,4-10H2,1-3H3,(H,16,19).
What are the key properties of N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]oxane-4-carboxamide?
N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]oxane-4-carboxamide has a molecular weight of 282.38 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]oxane-4-carboxamide is sourced from PubChem (CID 45203587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).