4-[4-[2-(5-methyl-2-propan-2-ylcyclohexyl)-2-oxoethyl]phenyl]butanamide;1-[4-[2-(5-methyl-2-propan-2-ylcyclohexyl)-2-oxoethyl]phenyl]propan-2-one

C43H63NO4 — CID 161107580

IUPAC4-[4-[2-(5-methyl-2-propan-2-ylcyclohexyl)-2-oxoethyl]phenyl]butanamide;1-[4-[2-(5-methyl-2-propan-2-ylcyclohexyl)-2-oxoethyl]phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(CC(=O)C2CC(C)CCC2C(C)C)cc1.CC1CCC(C(C)C)C(C(=O)Cc2ccc(CCCC(N)=O)cc2)C1
InChIInChI=1S/C22H33NO2.C21H30O2/c1-15(2)19-12-7-16(3)13-20(19)21(24)14-18-10-8-17(9-11-18)5-4-6-22(23)25;1-14(2)19-10-5-15(3)11-20(19)21(23)13-18-8-6-17(7-9-18)12-16(4)22/h8-11,15-16,19-20H,4-7,12-14H2,1-3H3,(H2,23,25);6-9,14-15,19-20H,5,10-13H2,1-4H3
InChIKeyUJGKHMSSCDKDNZ-UHFFFAOYSA-N
MW657.98 g/mol
LogP8.95
Rot. Bonds14

About 4-[4-[2-(5-methyl-2-propan-2-ylcyclohexyl)-2-oxoethyl]phenyl]butanamide;1-[4-[2-(5-methyl-2-propan-2-ylcyclohexyl)-2-oxoethyl]phenyl]propan-2-one

4-[4-[2-(5-methyl-2-propan-2-ylcyclohexyl)-2-oxoethyl]phenyl]butanamide;1-[4-[2-(5-methyl-2-propan-2-ylcyclohexyl)-2-oxoethyl]phenyl]propan-2-one (PubChem CID 161107580) has the molecular formula C43H63NO4 and a molecular weight of 657.98 g/mol. Its IUPAC name is 4-[4-[2-(5-methyl-2-propan-2-ylcyclohexyl)-2-oxoethyl]phenyl]butanamide;1-[4-[2-(5-methyl-2-propan-2-ylcyclohexyl)-2-oxoethyl]phenyl]propan-2-one.

Molecular Properties

Compound Name4-[4-[2-(5-methyl-2-propan-2-ylcyclohexyl)-2-oxoethyl]phenyl]butanamide;1-[4-[2-(5-methyl-2-propan-2-ylcyclohexyl)-2-oxoethyl]phenyl]propan-2-one
PubChem CID161107580
Molecular FormulaC43H63NO4
Molecular Weight657.98 g/mol
Exact Mass657.48
IUPAC Name4-[4-[2-(5-methyl-2-propan-2-ylcyclohexyl)-2-oxoethyl]phenyl]butanamide;1-[4-[2-(5-methyl-2-propan-2-ylcyclohexyl)-2-oxoethyl]phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(CC(=O)C2CC(C)CCC2C(C)C)cc1.CC1CCC(C(C)C)C(C(=O)Cc2ccc(CCCC(N)=O)cc2)C1
InChIInChI=1S/C22H33NO2.C21H30O2/c1-15(2)19-12-7-16(3)13-20(19)21(24)14-18-10-8-17(9-11-18)5-4-6-22(23)25;1-14(2)19-10-5-15(3)11-20(19)21(23)13-18-8-6-17(7-9-18)12-16(4)22/h8-11,15-16,19-20H,4-7,12-14H2,1-3H3,(H2,23,25);6-9,14-15,19-20H,5,10-13H2,1-4H3
InChIKeyUJGKHMSSCDKDNZ-UHFFFAOYSA-N
XLogP8.95
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.98
LogP ≤ 58.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-[2-(5-methyl-2-propan-2-ylcyclohexyl)-2-oxoethyl]phenyl]butanamide;1-[4-[2-(5-methyl-2-propan-2-ylcyclohexyl)-2-oxoethyl]phenyl]propan-2-one with MolForge

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Related Compounds

4-[4-[2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]phenyl]butanamide
CID 58384227
2-[4-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]phenyl]acetamide
CID 160838676
N-[4-(4-amino-4-oxobutyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 53345814
1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-pyridin-2-ylbutan-1-one
CID 67188253
2-phenylethyl (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate
CID 129275689
5-methyl-N-(2-phenylethyl)-2-propan-2-ylcyclohexane-1-carboxamide
CID 68625601
(2R)-2-amino-N-[5-methoxy-2-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]phenyl]propanamide
CID 147318580
5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid;hydrochloride
CID 66645461
(1R,2S,5R)-5-methyl-2-propan-2-yl-N-[(4-sulfamoylphenyl)methyl]cyclohexane-1-carboxamide
CID 59860935
N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 21079958
(1R,2S,5R)-N-[2-[2-(3-hydroxypropoxy)phenyl]ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 167121814
(5-methyl-2-propan-2-ylcyclohexyl) 2-(4-methylphenyl)acetate
CID 23517331

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(5-methyl-2-propan-2-ylcyclohexyl)-2-oxoethyl]phenyl]butanamide;1-[4-[2-(5-methyl-2-propan-2-ylcyclohexyl)-2-oxoethyl]phenyl]propan-2-one?
The IUPAC name of 4-[4-[2-(5-methyl-2-propan-2-ylcyclohexyl)-2-oxoethyl]phenyl]butanamide;1-[4-[2-(5-methyl-2-propan-2-ylcyclohexyl)-2-oxoethyl]phenyl]propan-2-one (CID 161107580) is 4-[4-[2-(5-methyl-2-propan-2-ylcyclohexyl)-2-oxoethyl]phenyl]butanamide;1-[4-[2-(5-methyl-2-propan-2-ylcyclohexyl)-2-oxoethyl]phenyl]propan-2-one.
What is the SMILES notation for 4-[4-[2-(5-methyl-2-propan-2-ylcyclohexyl)-2-oxoethyl]phenyl]butanamide;1-[4-[2-(5-methyl-2-propan-2-ylcyclohexyl)-2-oxoethyl]phenyl]propan-2-one?
The canonical SMILES for 4-[4-[2-(5-methyl-2-propan-2-ylcyclohexyl)-2-oxoethyl]phenyl]butanamide;1-[4-[2-(5-methyl-2-propan-2-ylcyclohexyl)-2-oxoethyl]phenyl]propan-2-one is CC(=O)Cc1ccc(CC(=O)C2CC(C)CCC2C(C)C)cc1.CC1CCC(C(C)C)C(C(=O)Cc2ccc(CCCC(N)=O)cc2)C1.
What is the InChIKey of 4-[4-[2-(5-methyl-2-propan-2-ylcyclohexyl)-2-oxoethyl]phenyl]butanamide;1-[4-[2-(5-methyl-2-propan-2-ylcyclohexyl)-2-oxoethyl]phenyl]propan-2-one?
The InChIKey is UJGKHMSSCDKDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO2.C21H30O2/c1-15(2)19-12-7-16(3)13-20(19)21(24)14-18-10-8-17(9-11-18)5-4-6-22(23)25;1-14(2)19-10-5-15(3)11-20(19)21(23)13-18-8-6-17(7-9-18)12-16(4)22/h8-11,15-16,19-20H,4-7,12-14H2,1-3H3,(H2,23,25);6-9,14-15,19-20H,5,10-13H2,1-4H3.
What are the key properties of 4-[4-[2-(5-methyl-2-propan-2-ylcyclohexyl)-2-oxoethyl]phenyl]butanamide;1-[4-[2-(5-methyl-2-propan-2-ylcyclohexyl)-2-oxoethyl]phenyl]propan-2-one?
4-[4-[2-(5-methyl-2-propan-2-ylcyclohexyl)-2-oxoethyl]phenyl]butanamide;1-[4-[2-(5-methyl-2-propan-2-ylcyclohexyl)-2-oxoethyl]phenyl]propan-2-one has a molecular weight of 657.98 g/mol, XLogP of 8.95, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(5-methyl-2-propan-2-ylcyclohexyl)-2-oxoethyl]phenyl]butanamide;1-[4-[2-(5-methyl-2-propan-2-ylcyclohexyl)-2-oxoethyl]phenyl]propan-2-one is sourced from PubChem (CID 161107580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).