1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-oxopyrrolidine-3-carboxamide

C15H26N2O3 — CID 65119011

IUPAC1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN1CC(C(=O)NCC2(O)CCC(C)CC2)CC1=O
InChIInChI=1S/C15H26N2O3/c1-3-17-9-12(8-13(17)18)14(19)16-10-15(20)6-4-11(2)5-7-15/h11-12,20H,3-10H2,1-2H3,(H,16,19)
InChIKeyVLQJOSVDGDMSSQ-UHFFFAOYSA-N
MW282.38 g/mol
LogP0.91
Rot. Bonds4

About 1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-oxopyrrolidine-3-carboxamide

1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 65119011) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID65119011
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN1CC(C(=O)NCC2(O)CCC(C)CC2)CC1=O
InChIInChI=1S/C15H26N2O3/c1-3-17-9-12(8-13(17)18)14(19)16-10-15(20)6-4-11(2)5-7-15/h11-12,20H,3-10H2,1-2H3,(H,16,19)
InChIKeyVLQJOSVDGDMSSQ-UHFFFAOYSA-N
XLogP0.91
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 65119183
N-[(1-hydroxy-4-methylcyclohexyl)methyl]cyclopropanecarboxamide
CID 65119591
1-tert-butyl-N-[(1-hydroxycyclohexyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 131914241
N-(2-cyclopropyl-2-hydroxyethyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 63294241
N-(3-amino-2-hydroxy-3-oxopropyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 114152589
methyl 4-hydroxy-4-[[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylate
CID 84580125
N-[(1-hydroxycyclobutyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 111445380
(3R)-1-ethyl-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 97123369
(3S)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 40586169
(3R)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 40586168
N-[(1-hydroxycyclopentyl)methyl]-4-methylcyclohexane-1-carboxamide
CID 79005811
N-(2,3-dihydroxy-2-methylpropyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 66171296

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 65119011) is 1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-oxopyrrolidine-3-carboxamide is CCN1CC(C(=O)NCC2(O)CCC(C)CC2)CC1=O.
What is the InChIKey of 1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VLQJOSVDGDMSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-3-17-9-12(8-13(17)18)14(19)16-10-15(20)6-4-11(2)5-7-15/h11-12,20H,3-10H2,1-2H3,(H,16,19).
What are the key properties of 1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-oxopyrrolidine-3-carboxamide?
1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 282.38 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 65119011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).