2-[4-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]phenyl]acetamide

C20H29NO2 — CID 160838676

IUPAC2-[4-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]phenyl]acetamide
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)Cc1ccc(CC(N)=O)cc1
InChIInChI=1S/C20H29NO2/c1-13(2)17-9-4-14(3)10-18(17)19(22)11-15-5-7-16(8-6-15)12-20(21)23/h5-8,13-14,17-18H,4,9-12H2,1-3H3,(H2,21,23)/t14-,17+,18-/m1/s1
InChIKeySHSUCAMKHJMNMQ-FHLIZLRMSA-N
MW315.46 g/mol
LogP3.53
Rot. Bonds6

About 2-[4-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]phenyl]acetamide

2-[4-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]phenyl]acetamide (PubChem CID 160838676) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is 2-[4-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]phenyl]acetamide
PubChem CID160838676
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC Name2-[4-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]phenyl]acetamide
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)Cc1ccc(CC(N)=O)cc1
InChIInChI=1S/C20H29NO2/c1-13(2)17-9-4-14(3)10-18(17)19(22)11-15-5-7-16(8-6-15)12-20(21)23/h5-8,13-14,17-18H,4,9-12H2,1-3H3,(H2,21,23)/t14-,17+,18-/m1/s1
InChIKeySHSUCAMKHJMNMQ-FHLIZLRMSA-N
XLogP3.53
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[4-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]phenyl]acetamide 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
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
N-[4-(4-amino-4-oxobutyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 53345814
(5-methyl-2-propan-2-ylcyclohexyl) 2-(4-methylphenyl)acetate
CID 23517331
2-phenylethyl (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate
CID 129275689
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
(2R)-2-amino-N-[5-methoxy-2-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]phenyl]propanamide
CID 147318580
N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;ethane
CID 91604695
(1R,2S,5R)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;hydrochloride
CID 164904811
5-methyl-N-(2-phenylethyl)-2-propan-2-ylcyclohexane-1-carboxamide
CID 68625601

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]phenyl]acetamide?
The IUPAC name of 2-[4-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]phenyl]acetamide (CID 160838676) is 2-[4-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]phenyl]acetamide.
What is the SMILES notation for 2-[4-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]phenyl]acetamide?
The canonical SMILES for 2-[4-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]phenyl]acetamide is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)Cc1ccc(CC(N)=O)cc1.
What is the InChIKey of 2-[4-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]phenyl]acetamide?
The InChIKey is SHSUCAMKHJMNMQ-FHLIZLRMSA-N. The full InChI is InChI=1S/C20H29NO2/c1-13(2)17-9-4-14(3)10-18(17)19(22)11-15-5-7-16(8-6-15)12-20(21)23/h5-8,13-14,17-18H,4,9-12H2,1-3H3,(H2,21,23)/t14-,17+,18-/m1/s1.
What are the key properties of 2-[4-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]phenyl]acetamide?
2-[4-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]phenyl]acetamide has a molecular weight of 315.46 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]phenyl]acetamide is sourced from PubChem (CID 160838676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).