(1S)-N-ethyl-1,5,5-trimethyl-2-propan-2-ylcyclohexane-1-carboxamide

C15H29NO — CID 134223969

IUPAC(1S)-N-ethyl-1,5,5-trimethyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCCNC(=O)[C@@]1(C)CC(C)(C)CCC1C(C)C
InChIInChI=1S/C15H29NO/c1-7-16-13(17)15(6)10-14(4,5)9-8-12(15)11(2)3/h11-12H,7-10H2,1-6H3,(H,16,17)/t12?,15-/m0/s1
InChIKeyFEGSFYPUEVQENQ-CVRLYYSRSA-N
MW239.40 g/mol
LogP3.61
Rot. Bonds3

About (1S)-N-ethyl-1,5,5-trimethyl-2-propan-2-ylcyclohexane-1-carboxamide

(1S)-N-ethyl-1,5,5-trimethyl-2-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 134223969) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is (1S)-N-ethyl-1,5,5-trimethyl-2-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-ethyl-1,5,5-trimethyl-2-propan-2-ylcyclohexane-1-carboxamide
PubChem CID134223969
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name(1S)-N-ethyl-1,5,5-trimethyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCCNC(=O)[C@@]1(C)CC(C)(C)CCC1C(C)C
InChIInChI=1S/C15H29NO/c1-7-16-13(17)15(6)10-14(4,5)9-8-12(15)11(2)3/h11-12H,7-10H2,1-6H3,(H,16,17)/t12?,15-/m0/s1
InChIKeyFEGSFYPUEVQENQ-CVRLYYSRSA-N
XLogP3.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-ethyl-1,5,5-trimethyl-2-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of (1S)-N-ethyl-1,5,5-trimethyl-2-propan-2-ylcyclohexane-1-carboxamide (CID 134223969) is (1S)-N-ethyl-1,5,5-trimethyl-2-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for (1S)-N-ethyl-1,5,5-trimethyl-2-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for (1S)-N-ethyl-1,5,5-trimethyl-2-propan-2-ylcyclohexane-1-carboxamide is CCNC(=O)[C@@]1(C)CC(C)(C)CCC1C(C)C.
What is the InChIKey of (1S)-N-ethyl-1,5,5-trimethyl-2-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is FEGSFYPUEVQENQ-CVRLYYSRSA-N. The full InChI is InChI=1S/C15H29NO/c1-7-16-13(17)15(6)10-14(4,5)9-8-12(15)11(2)3/h11-12H,7-10H2,1-6H3,(H,16,17)/t12?,15-/m0/s1.
What are the key properties of (1S)-N-ethyl-1,5,5-trimethyl-2-propan-2-ylcyclohexane-1-carboxamide?
(1S)-N-ethyl-1,5,5-trimethyl-2-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 239.40 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-ethyl-1,5,5-trimethyl-2-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 134223969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).