(2S)-N-(2-tert-butylcyclohexyl)pyrrolidine-2-carboxamide

C15H28N2O — CID 61155156

IUPAC(2S)-N-(2-tert-butylcyclohexyl)pyrrolidine-2-carboxamide
SMILESCC(C)(C)C1CCCCC1NC(=O)[C@@H]1CCCN1
InChIInChI=1S/C15H28N2O/c1-15(2,3)11-7-4-5-8-12(11)17-14(18)13-9-6-10-16-13/h11-13,16H,4-10H2,1-3H3,(H,17,18)/t11?,12?,13-/m0/s1
InChIKeyAPMPKAQCVBSESU-BPCQOVAHSA-N
MW252.40 g/mol
LogP2.46
Rot. Bonds2

About (2S)-N-(2-tert-butylcyclohexyl)pyrrolidine-2-carboxamide

(2S)-N-(2-tert-butylcyclohexyl)pyrrolidine-2-carboxamide (PubChem CID 61155156) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is (2S)-N-(2-tert-butylcyclohexyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-tert-butylcyclohexyl)pyrrolidine-2-carboxamide
PubChem CID61155156
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name(2S)-N-(2-tert-butylcyclohexyl)pyrrolidine-2-carboxamide
SMILESCC(C)(C)C1CCCCC1NC(=O)[C@@H]1CCCN1
InChIInChI=1S/C15H28N2O/c1-15(2,3)11-7-4-5-8-12(11)17-14(18)13-9-6-10-16-13/h11-13,16H,4-10H2,1-3H3,(H,17,18)/t11?,12?,13-/m0/s1
InChIKeyAPMPKAQCVBSESU-BPCQOVAHSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxycyclohexyl)pyrrolidine-2-carboxamide;hydrochloride
CID 110911866
(2R)-N-(2-propan-2-ylcyclohexyl)pyrrolidine-2-carboxamide
CID 103796390
N-(2-methylcyclopentyl)pyrrolidine-2-carboxamide
CID 63281892
N-(2-tert-butylcyclohexyl)cyclobutanecarboxamide
CID 6466635
N-(2-tert-butylcyclohexyl)-2-pyrrolidin-2-ylacetamide
CID 61364034
N-(2-methylcyclohexyl)azepane-2-carboxamide
CID 64564160
(2R)-N-(2-methylsulfanylcyclopentyl)pyrrolidine-2-carboxamide
CID 103797263
N-(2,3-dimethylcyclohexyl)azepane-2-carboxamide
CID 64562992
(2S)-N-(2-methoxycyclopentyl)piperidine-2-carboxamide
CID 104913815
(2R)-N-[2-(hydroxymethyl)cyclopentyl]pyrrolidine-2-carboxamide
CID 103796942
(2S)-N-[2-(hydroxymethyl)cyclopentyl]pyrrolidine-2-carboxamide
CID 103796945
(2R)-N-(4-methyloxolan-3-yl)pyrrolidine-2-carboxamide
CID 164659167

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-tert-butylcyclohexyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(2-tert-butylcyclohexyl)pyrrolidine-2-carboxamide (CID 61155156) is (2S)-N-(2-tert-butylcyclohexyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-tert-butylcyclohexyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2-tert-butylcyclohexyl)pyrrolidine-2-carboxamide is CC(C)(C)C1CCCCC1NC(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-(2-tert-butylcyclohexyl)pyrrolidine-2-carboxamide?
The InChIKey is APMPKAQCVBSESU-BPCQOVAHSA-N. The full InChI is InChI=1S/C15H28N2O/c1-15(2,3)11-7-4-5-8-12(11)17-14(18)13-9-6-10-16-13/h11-13,16H,4-10H2,1-3H3,(H,17,18)/t11?,12?,13-/m0/s1.
What are the key properties of (2S)-N-(2-tert-butylcyclohexyl)pyrrolidine-2-carboxamide?
(2S)-N-(2-tert-butylcyclohexyl)pyrrolidine-2-carboxamide has a molecular weight of 252.40 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-tert-butylcyclohexyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 61155156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).