(3R)-N-cyclohexyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide

C16H28N2O2 — CID 40515594

IUPAC(3R)-N-cyclohexyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CCN1C[C@H](C(=O)NC2CCCCC2)CC1=O
InChIInChI=1S/C16H28N2O2/c1-12(2)8-9-18-11-13(10-15(18)19)16(20)17-14-6-4-3-5-7-14/h12-14H,3-11H2,1-2H3,(H,17,20)/t13-/m1/s1
InChIKeyUGOHUIYPOHEBTQ-CYBMUJFWSA-N
MW280.41 g/mol
LogP2.33
Rot. Bonds5

About (3R)-N-cyclohexyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-cyclohexyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 40515594) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is (3R)-N-cyclohexyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-cyclohexyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID40515594
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name(3R)-N-cyclohexyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CCN1C[C@H](C(=O)NC2CCCCC2)CC1=O
InChIInChI=1S/C16H28N2O2/c1-12(2)8-9-18-11-13(10-15(18)19)16(20)17-14-6-4-3-5-7-14/h12-14H,3-11H2,1-2H3,(H,17,20)/t13-/m1/s1
InChIKeyUGOHUIYPOHEBTQ-CYBMUJFWSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 6497409
N-cycloheptyl-1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184410
(3S)-1-(3-methylbutyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 39729388
4-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60809527
N-cyclohexyl-1-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113190469
1-[2-(3-chlorophenyl)ethyl]-N-cycloheptyl-5-oxopyrrolidine-3-carboxamide
CID 113185813
1-(3-methylbutyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 113185589
4-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 125149285
1-[2-(dimethylamino)ethyl]-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 119451954
(3R)-N-cyclopropyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51373179
(3S)-1-(2-methylpropyl)-5-oxo-N-(4-phenylcyclohexyl)pyrrolidine-3-carboxamide
CID 37352761
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 45493742

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclohexyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-cyclohexyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide (CID 40515594) is (3R)-N-cyclohexyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-cyclohexyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-cyclohexyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide is CC(C)CCN1C[C@H](C(=O)NC2CCCCC2)CC1=O.
What is the InChIKey of (3R)-N-cyclohexyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UGOHUIYPOHEBTQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-12(2)8-9-18-11-13(10-15(18)19)16(20)17-14-6-4-3-5-7-14/h12-14H,3-11H2,1-2H3,(H,17,20)/t13-/m1/s1.
What are the key properties of (3R)-N-cyclohexyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-cyclohexyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 280.41 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclohexyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 40515594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).