(1R,2R,5R)-2-ethyl-5-methyl-N-prop-1-en-2-ylcyclohexane-1-carboxamide

C13H23NO — CID 143334985

IUPAC(1R,2R,5R)-2-ethyl-5-methyl-N-prop-1-en-2-ylcyclohexane-1-carboxamide
SMILESC=C(C)NC(=O)[C@@H]1C[C@H](C)CC[C@H]1CC
InChIInChI=1S/C13H23NO/c1-5-11-7-6-10(4)8-12(11)13(15)14-9(2)3/h10-12H,2,5-8H2,1,3-4H3,(H,14,15)/t10-,11-,12-/m1/s1
InChIKeyPFMGFGPLYVLKNJ-IJLUTSLNSA-N
MW209.33 g/mol
LogP3.10
Rot. Bonds3

About (1R,2R,5R)-2-ethyl-5-methyl-N-prop-1-en-2-ylcyclohexane-1-carboxamide

(1R,2R,5R)-2-ethyl-5-methyl-N-prop-1-en-2-ylcyclohexane-1-carboxamide (PubChem CID 143334985) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (1R,2R,5R)-2-ethyl-5-methyl-N-prop-1-en-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1R,2R,5R)-2-ethyl-5-methyl-N-prop-1-en-2-ylcyclohexane-1-carboxamide
PubChem CID143334985
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(1R,2R,5R)-2-ethyl-5-methyl-N-prop-1-en-2-ylcyclohexane-1-carboxamide
SMILESC=C(C)NC(=O)[C@@H]1C[C@H](C)CC[C@H]1CC
InChIInChI=1S/C13H23NO/c1-5-11-7-6-10(4)8-12(11)13(15)14-9(2)3/h10-12H,2,5-8H2,1,3-4H3,(H,14,15)/t10-,11-,12-/m1/s1
InChIKeyPFMGFGPLYVLKNJ-IJLUTSLNSA-N
XLogP3.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-N-hexan-2-yl-5-methylcyclohexane-1-carboxamide
CID 166924939
bis(5-methyl-2-propylcyclohexyl)methanone
CID 150034855
2-amino-N-(2-ethylcyclohexyl)-5-methylcyclohexane-1-carboxamide
CID 65454165
2-(5-methyl-2-prop-1-en-2-ylcyclohexyl)acetic acid
CID 54375426
N-(2-ethyl-5-methylcyclohexyl)prop-2-enamide
CID 89206562
1-(2-ethylcyclohexyl)-2-methylprop-2-en-1-one
CID 58325604
[(2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl]methanol
CID 146204600
(1R)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 90384157
(1R,2S,5R)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 7168187
trans-(1R,2S)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 89464561
(2S)-2-ethylcyclopentane-1-carboxylic acid
CID 59114270
2-amino-N-(3-ethylcyclohexyl)-5-methylcyclohexane-1-carboxamide
CID 65455115

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5R)-2-ethyl-5-methyl-N-prop-1-en-2-ylcyclohexane-1-carboxamide?
The IUPAC name of (1R,2R,5R)-2-ethyl-5-methyl-N-prop-1-en-2-ylcyclohexane-1-carboxamide (CID 143334985) is (1R,2R,5R)-2-ethyl-5-methyl-N-prop-1-en-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for (1R,2R,5R)-2-ethyl-5-methyl-N-prop-1-en-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for (1R,2R,5R)-2-ethyl-5-methyl-N-prop-1-en-2-ylcyclohexane-1-carboxamide is C=C(C)NC(=O)[C@@H]1C[C@H](C)CC[C@H]1CC.
What is the InChIKey of (1R,2R,5R)-2-ethyl-5-methyl-N-prop-1-en-2-ylcyclohexane-1-carboxamide?
The InChIKey is PFMGFGPLYVLKNJ-IJLUTSLNSA-N. The full InChI is InChI=1S/C13H23NO/c1-5-11-7-6-10(4)8-12(11)13(15)14-9(2)3/h10-12H,2,5-8H2,1,3-4H3,(H,14,15)/t10-,11-,12-/m1/s1.
What are the key properties of (1R,2R,5R)-2-ethyl-5-methyl-N-prop-1-en-2-ylcyclohexane-1-carboxamide?
(1R,2R,5R)-2-ethyl-5-methyl-N-prop-1-en-2-ylcyclohexane-1-carboxamide has a molecular weight of 209.33 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5R)-2-ethyl-5-methyl-N-prop-1-en-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 143334985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).