N-[4-(2-methylbutan-2-yl)cyclohexyl]oxolane-2-carboxamide

C16H29NO2 — CID 17191152

IUPACN-[4-(2-methylbutan-2-yl)cyclohexyl]oxolane-2-carboxamide
SMILESCCC(C)(C)C1CCC(NC(=O)C2CCCO2)CC1
InChIInChI=1S/C16H29NO2/c1-4-16(2,3)12-7-9-13(10-8-12)17-15(18)14-6-5-11-19-14/h12-14H,4-11H2,1-3H3,(H,17,18)
InChIKeyYKIDOQAQRLHSNL-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.28
Rot. Bonds4

About N-[4-(2-methylbutan-2-yl)cyclohexyl]oxolane-2-carboxamide

N-[4-(2-methylbutan-2-yl)cyclohexyl]oxolane-2-carboxamide (PubChem CID 17191152) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is N-[4-(2-methylbutan-2-yl)cyclohexyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methylbutan-2-yl)cyclohexyl]oxolane-2-carboxamide
PubChem CID17191152
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC NameN-[4-(2-methylbutan-2-yl)cyclohexyl]oxolane-2-carboxamide
SMILESCCC(C)(C)C1CCC(NC(=O)C2CCCO2)CC1
InChIInChI=1S/C16H29NO2/c1-4-16(2,3)12-7-9-13(10-8-12)17-15(18)14-6-5-11-19-14/h12-14H,4-11H2,1-3H3,(H,17,18)
InChIKeyYKIDOQAQRLHSNL-UHFFFAOYSA-N
XLogP3.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-cyclopropyloxolane-2-carboxamide
CID 40569533
(2S)-N-[4-(methylamino)cyclohexyl]oxolane-2-carboxamide
CID 93256529
(2R)-N-[4-(methylamino)cyclohexyl]oxolane-2-carboxamide
CID 93256530
N-[4-(propylamino)cyclohexyl]oxolane-2-carboxamide
CID 43653441
(2S)-N-cyclopentyloxolane-2-carboxamide
CID 7368997
(2R)-N-cyclopentyloxolane-2-carboxamide
CID 7368998
N-(oxan-4-yl)oxolane-2-carboxamide
CID 110726803
N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,1-dioxothiane-4-carboxamide
CID 75407298
(2R)-2-amino-3,3-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]butanamide
CID 103928588
N-(4-bromocyclohexyl)oxane-2-carboxamide
CID 114308956
3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-2-carboxamide
CID 107067277
(2S)-N-(azetidin-3-yl)oxolane-2-carboxamide
CID 104856358

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylbutan-2-yl)cyclohexyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-(2-methylbutan-2-yl)cyclohexyl]oxolane-2-carboxamide (CID 17191152) is N-[4-(2-methylbutan-2-yl)cyclohexyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-(2-methylbutan-2-yl)cyclohexyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-(2-methylbutan-2-yl)cyclohexyl]oxolane-2-carboxamide is CCC(C)(C)C1CCC(NC(=O)C2CCCO2)CC1.
What is the InChIKey of N-[4-(2-methylbutan-2-yl)cyclohexyl]oxolane-2-carboxamide?
The InChIKey is YKIDOQAQRLHSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-4-16(2,3)12-7-9-13(10-8-12)17-15(18)14-6-5-11-19-14/h12-14H,4-11H2,1-3H3,(H,17,18).
What are the key properties of N-[4-(2-methylbutan-2-yl)cyclohexyl]oxolane-2-carboxamide?
N-[4-(2-methylbutan-2-yl)cyclohexyl]oxolane-2-carboxamide has a molecular weight of 267.41 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylbutan-2-yl)cyclohexyl]oxolane-2-carboxamide is sourced from PubChem (CID 17191152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).