N-ethyl-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide

C14H27NO — CID 122582300

IUPACN-ethyl-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCCNC(=O)C1CC(C)(C)CCC1C(C)C
InChIInChI=1S/C14H27NO/c1-6-15-13(16)12-9-14(4,5)8-7-11(12)10(2)3/h10-12H,6-9H2,1-5H3,(H,15,16)
InChIKeyCOCVIDAYVZKJPC-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.22
Rot. Bonds3

About N-ethyl-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide

N-ethyl-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 122582300) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-ethyl-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide
PubChem CID122582300
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-ethyl-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCCNC(=O)C1CC(C)(C)CCC1C(C)C
InChIInChI=1S/C14H27NO/c1-6-15-13(16)12-9-14(4,5)8-7-11(12)10(2)3/h10-12H,6-9H2,1-5H3,(H,15,16)
InChIKeyCOCVIDAYVZKJPC-UHFFFAOYSA-N
XLogP3.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of N-ethyl-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide (CID 122582300) is N-ethyl-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-ethyl-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-ethyl-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide is CCNC(=O)C1CC(C)(C)CCC1C(C)C.
What is the InChIKey of N-ethyl-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is COCVIDAYVZKJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-6-15-13(16)12-9-14(4,5)8-7-11(12)10(2)3/h10-12H,6-9H2,1-5H3,(H,15,16).
What are the key properties of N-ethyl-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide?
N-ethyl-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 225.38 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 122582300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).