N-[2-(4-methoxyphenyl)-2-oxoethyl]-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide

C21H31NO3 — CID 135228535

IUPACN-[2-(4-methoxyphenyl)-2-oxoethyl]-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCOc1ccc(C(=O)CNC(=O)C2CC(C)(C)CCC2C(C)C)cc1
InChIInChI=1S/C21H31NO3/c1-14(2)17-10-11-21(3,4)12-18(17)20(24)22-13-19(23)15-6-8-16(25-5)9-7-15/h6-9,14,17-18H,10-13H2,1-5H3,(H,22,24)
InChIKeyHKYPAKLGVSNDFW-UHFFFAOYSA-N
MW345.48 g/mol
LogP4.09
Rot. Bonds6

About N-[2-(4-methoxyphenyl)-2-oxoethyl]-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide

N-[2-(4-methoxyphenyl)-2-oxoethyl]-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 135228535) has the molecular formula C21H31NO3 and a molecular weight of 345.48 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-oxoethyl]-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-oxoethyl]-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide
PubChem CID135228535
Molecular FormulaC21H31NO3
Molecular Weight345.48 g/mol
Exact Mass345.23
IUPAC NameN-[2-(4-methoxyphenyl)-2-oxoethyl]-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCOc1ccc(C(=O)CNC(=O)C2CC(C)(C)CCC2C(C)C)cc1
InChIInChI=1S/C21H31NO3/c1-14(2)17-10-11-21(3,4)12-18(17)20(24)22-13-19(23)15-6-8-16(25-5)9-7-15/h6-9,14,17-18H,10-13H2,1-5H3,(H,22,24)
InChIKeyHKYPAKLGVSNDFW-UHFFFAOYSA-N
XLogP4.09
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.48
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 122582300
N-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopropanecarboxamide
CID 94261270
trans-(1R,2R)-2-cyclopropyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopropane-1-carboxamide
CID 97328657
N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylpropanamide
CID 94262490
methyl 2-[(5,5-dimethyl-2-propan-2-ylcyclohexanecarbonyl)amino]benzoate
CID 122582383
5,5-dimethyl-2-propan-2-yl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 122582438
5-methyl-N-phenacyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 66831556
1-(4-methoxyphenyl)-2-(2-methylpropylamino)ethanone
CID 94258475
2-(cycloheptylamino)-1-(4-methoxyphenyl)ethanone
CID 2404150
2-[(2,2-dimethyloxan-4-yl)methylamino]-1-(4-methoxyphenyl)ethanone
CID 13438549
1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]piperidine-4-carboxamide
CID 108805796
5,5-dimethyl-N-(2-oxooxolan-3-yl)-2-propan-2-ylcyclohexane-1-carboxamide
CID 122582304

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-oxoethyl]-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-oxoethyl]-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide (CID 135228535) is N-[2-(4-methoxyphenyl)-2-oxoethyl]-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-oxoethyl]-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-oxoethyl]-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide is COc1ccc(C(=O)CNC(=O)C2CC(C)(C)CCC2C(C)C)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-oxoethyl]-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is HKYPAKLGVSNDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO3/c1-14(2)17-10-11-21(3,4)12-18(17)20(24)22-13-19(23)15-6-8-16(25-5)9-7-15/h6-9,14,17-18H,10-13H2,1-5H3,(H,22,24).
What are the key properties of N-[2-(4-methoxyphenyl)-2-oxoethyl]-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide?
N-[2-(4-methoxyphenyl)-2-oxoethyl]-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 345.48 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-oxoethyl]-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 135228535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).