(3R)-N-[(2S)-2-hydroxypropyl]-N-methyl-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide

C16H28N2O3 — CID 99775238

IUPAC(3R)-N-[(2S)-2-hydroxypropyl]-N-methyl-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC1CCC(N2C[C@H](C(=O)N(C)C[C@H](C)O)CC2=O)CC1
InChIInChI=1S/C16H28N2O3/c1-11-4-6-14(7-5-11)18-10-13(8-15(18)20)16(21)17(3)9-12(2)19/h11-14,19H,4-10H2,1-3H3/t11?,12-,13+,14?/m0/s1
InChIKeyJDNLAWAIJMOVKI-YIFLHPOLSA-N
MW296.41 g/mol
LogP1.25
Rot. Bonds4

About (3R)-N-[(2S)-2-hydroxypropyl]-N-methyl-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-[(2S)-2-hydroxypropyl]-N-methyl-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 99775238) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is (3R)-N-[(2S)-2-hydroxypropyl]-N-methyl-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2S)-2-hydroxypropyl]-N-methyl-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID99775238
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name(3R)-N-[(2S)-2-hydroxypropyl]-N-methyl-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC1CCC(N2C[C@H](C(=O)N(C)C[C@H](C)O)CC2=O)CC1
InChIInChI=1S/C16H28N2O3/c1-11-4-6-14(7-5-11)18-10-13(8-15(18)20)16(21)17(3)9-12(2)19/h11-14,19H,4-10H2,1-3H3/t11?,12-,13+,14?/m0/s1
InChIKeyJDNLAWAIJMOVKI-YIFLHPOLSA-N
XLogP1.25
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-N-[(2S)-2-hydroxypropyl]-N-methyl-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

2-[methyl-[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
CID 119172024
2-[methyl-[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119209014
(3S)-N-cyclopropyl-N-[(2S)-3-methylbutan-2-yl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 99805772
(3R)-1-cyclopropyl-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 95280942
1-cyclopropyl-N-[(2R)-2-hydroxypropyl]-5-oxopyrrolidine-3-carboxamide
CID 83032066
(3R)-1-cyclopentyl-N-(2-methylpropyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 95591973
(3S)-1-cyclopropyl-N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 97147806
N-(2-hydroxypropyl)-1-(2-methoxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 62333500
N-butan-2-yl-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 78858369
(4S)-4-(azocane-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one
CID 99805761
(3S)-1-cyclopentyl-N-[(1R)-1-cyclopropylethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 95353422
(3R)-N,1-dicyclopropyl-N-(4-ethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 97096733

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S)-2-hydroxypropyl]-N-methyl-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[(2S)-2-hydroxypropyl]-N-methyl-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide (CID 99775238) is (3R)-N-[(2S)-2-hydroxypropyl]-N-methyl-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2S)-2-hydroxypropyl]-N-methyl-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2S)-2-hydroxypropyl]-N-methyl-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide is CC1CCC(N2C[C@H](C(=O)N(C)C[C@H](C)O)CC2=O)CC1.
What is the InChIKey of (3R)-N-[(2S)-2-hydroxypropyl]-N-methyl-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JDNLAWAIJMOVKI-YIFLHPOLSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-11-4-6-14(7-5-11)18-10-13(8-15(18)20)16(21)17(3)9-12(2)19/h11-14,19H,4-10H2,1-3H3/t11?,12-,13+,14?/m0/s1.
What are the key properties of (3R)-N-[(2S)-2-hydroxypropyl]-N-methyl-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[(2S)-2-hydroxypropyl]-N-methyl-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 296.41 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2S)-2-hydroxypropyl]-N-methyl-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 99775238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).