4-[4-[2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]phenyl]butanamide

C22H33NO2 — CID 58384227

IUPAC4-[4-[2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]phenyl]butanamide
SMILESCC(C)[C@@H]1CC[C@@H](C)CC1C(=O)Cc1ccc(CCCC(N)=O)cc1
InChIInChI=1S/C22H33NO2/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/h8-11,15-16,19-20H,4-7,12-14H2,1-3H3,(H2,23,25)/t16-,19+,20?/m1/s1
InChIKeyNPZZQALELMNBRB-UGNHXKFCSA-N
MW343.51 g/mol
LogP4.31
Rot. Bonds8

About 4-[4-[2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]phenyl]butanamide

4-[4-[2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]phenyl]butanamide (PubChem CID 58384227) has the molecular formula C22H33NO2 and a molecular weight of 343.51 g/mol. Its IUPAC name is 4-[4-[2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]phenyl]butanamide.

Molecular Properties

Compound Name4-[4-[2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]phenyl]butanamide
PubChem CID58384227
Molecular FormulaC22H33NO2
Molecular Weight343.51 g/mol
Exact Mass343.25
IUPAC Name4-[4-[2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]phenyl]butanamide
SMILESCC(C)[C@@H]1CC[C@@H](C)CC1C(=O)Cc1ccc(CCCC(N)=O)cc1
InChIInChI=1S/C22H33NO2/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/h8-11,15-16,19-20H,4-7,12-14H2,1-3H3,(H2,23,25)/t16-,19+,20?/m1/s1
InChIKeyNPZZQALELMNBRB-UGNHXKFCSA-N
XLogP4.31
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[4-[2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]phenyl]butanamide with MolForge

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Related Compounds

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
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-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]phenyl]butanamide?
The IUPAC name of 4-[4-[2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]phenyl]butanamide (CID 58384227) is 4-[4-[2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]phenyl]butanamide.
What is the SMILES notation for 4-[4-[2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]phenyl]butanamide?
The canonical SMILES for 4-[4-[2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]phenyl]butanamide is CC(C)[C@@H]1CC[C@@H](C)CC1C(=O)Cc1ccc(CCCC(N)=O)cc1.
What is the InChIKey of 4-[4-[2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]phenyl]butanamide?
The InChIKey is NPZZQALELMNBRB-UGNHXKFCSA-N. The full InChI is InChI=1S/C22H33NO2/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/h8-11,15-16,19-20H,4-7,12-14H2,1-3H3,(H2,23,25)/t16-,19+,20?/m1/s1.
What are the key properties of 4-[4-[2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]phenyl]butanamide?
4-[4-[2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]phenyl]butanamide has a molecular weight of 343.51 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]phenyl]butanamide is sourced from PubChem (CID 58384227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).