5-methyl-N-phenacyl-2-propan-2-ylcyclohexane-1-carboxamide

C19H27NO2 — CID 66831556

IUPAC5-methyl-N-phenacyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCC1CCC(C(C)C)C(C(=O)NCC(=O)c2ccccc2)C1
InChIInChI=1S/C19H27NO2/c1-13(2)16-10-9-14(3)11-17(16)19(22)20-12-18(21)15-7-5-4-6-8-15/h4-8,13-14,16-17H,9-12H2,1-3H3,(H,20,22)
InChIKeyYTUIOCONAYDLND-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.69
Rot. Bonds5

About 5-methyl-N-phenacyl-2-propan-2-ylcyclohexane-1-carboxamide

5-methyl-N-phenacyl-2-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 66831556) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is 5-methyl-N-phenacyl-2-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name5-methyl-N-phenacyl-2-propan-2-ylcyclohexane-1-carboxamide
PubChem CID66831556
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Name5-methyl-N-phenacyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCC1CCC(C(C)C)C(C(=O)NCC(=O)c2ccccc2)C1
InChIInChI=1S/C19H27NO2/c1-13(2)16-10-9-14(3)11-17(16)19(22)20-12-18(21)15-7-5-4-6-8-15/h4-8,13-14,16-17H,9-12H2,1-3H3,(H,20,22)
InChIKeyYTUIOCONAYDLND-UHFFFAOYSA-N
XLogP3.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 21079958
N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;ethane
CID 91604695
5-methyl-N-(2-phenylethyl)-2-propan-2-ylcyclohexane-1-carboxamide
CID 68625601
N-[(2S)-2-hydroxy-2-phenylethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 169225329
N-[2-[[(2S)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]-1-phenylethyl]benzamide
CID 129071075
2-methyl-N-phenacylcyclopropane-1-carboxamide
CID 64991605
phenacyl (1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate
CID 73053416
5-methyl-N'-phenyl-2-propan-2-ylcyclohexane-1-carbohydrazide
CID 175475904
(2S)-N-(2-acetamido-2-phenylethyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 129070902
trans-(1R,2S)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 89464561
(1R,2S,5R)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 7168187
(1R)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 90384157

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-phenacyl-2-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 5-methyl-N-phenacyl-2-propan-2-ylcyclohexane-1-carboxamide (CID 66831556) is 5-methyl-N-phenacyl-2-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 5-methyl-N-phenacyl-2-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 5-methyl-N-phenacyl-2-propan-2-ylcyclohexane-1-carboxamide is CC1CCC(C(C)C)C(C(=O)NCC(=O)c2ccccc2)C1.
What is the InChIKey of 5-methyl-N-phenacyl-2-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is YTUIOCONAYDLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2/c1-13(2)16-10-9-14(3)11-17(16)19(22)20-12-18(21)15-7-5-4-6-8-15/h4-8,13-14,16-17H,9-12H2,1-3H3,(H,20,22).
What are the key properties of 5-methyl-N-phenacyl-2-propan-2-ylcyclohexane-1-carboxamide?
5-methyl-N-phenacyl-2-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 301.43 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-phenacyl-2-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 66831556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).