N-ethyl-3-methyl-3-propan-2-ylcyclohexane-1-carboxamide

C13H25NO — CID 23067544

IUPACN-ethyl-3-methyl-3-propan-2-ylcyclohexane-1-carboxamide
SMILESCCNC(=O)C1CCCC(C)(C(C)C)C1
InChIInChI=1S/C13H25NO/c1-5-14-12(15)11-7-6-8-13(4,9-11)10(2)3/h10-11H,5-9H2,1-4H3,(H,14,15)
InChIKeyWZSUVJMQQAROEV-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.97
Rot. Bonds3

About N-ethyl-3-methyl-3-propan-2-ylcyclohexane-1-carboxamide

N-ethyl-3-methyl-3-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 23067544) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-ethyl-3-methyl-3-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-3-propan-2-ylcyclohexane-1-carboxamide
PubChem CID23067544
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-ethyl-3-methyl-3-propan-2-ylcyclohexane-1-carboxamide
SMILESCCNC(=O)C1CCCC(C)(C(C)C)C1
InChIInChI=1S/C13H25NO/c1-5-14-12(15)11-7-6-8-13(4,9-11)10(2)3/h10-11H,5-9H2,1-4H3,(H,14,15)
InChIKeyWZSUVJMQQAROEV-UHFFFAOYSA-N
XLogP2.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-3-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of N-ethyl-3-methyl-3-propan-2-ylcyclohexane-1-carboxamide (CID 23067544) is N-ethyl-3-methyl-3-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-ethyl-3-methyl-3-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-ethyl-3-methyl-3-propan-2-ylcyclohexane-1-carboxamide is CCNC(=O)C1CCCC(C)(C(C)C)C1.
What is the InChIKey of N-ethyl-3-methyl-3-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is WZSUVJMQQAROEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-5-14-12(15)11-7-6-8-13(4,9-11)10(2)3/h10-11H,5-9H2,1-4H3,(H,14,15).
What are the key properties of N-ethyl-3-methyl-3-propan-2-ylcyclohexane-1-carboxamide?
N-ethyl-3-methyl-3-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 211.35 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-3-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 23067544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).