N-(4,5-dimethoxy-2-methylphenyl)-2-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide

C21H33NO4 — CID 124743972

IUPACN-(4,5-dimethoxy-2-methylphenyl)-2-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide
SMILESCOc1cc(C)c(NC(=O)CO[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)cc1OC
InChIInChI=1S/C21H33NO4/c1-13(2)16-8-7-14(3)9-18(16)26-12-21(23)22-17-11-20(25-6)19(24-5)10-15(17)4/h10-11,13-14,16,18H,7-9,12H2,1-6H3,(H,22,23)/t14-,16-,18+/m0/s1
InChIKeyZGZCAGZQKAIQKF-QILLFSRXSA-N
MW363.50 g/mol
LogP4.43
Rot. Bonds7

About N-(4,5-dimethoxy-2-methylphenyl)-2-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide

N-(4,5-dimethoxy-2-methylphenyl)-2-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide (PubChem CID 124743972) has the molecular formula C21H33NO4 and a molecular weight of 363.50 g/mol. Its IUPAC name is N-(4,5-dimethoxy-2-methylphenyl)-2-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide.

Molecular Properties

Compound NameN-(4,5-dimethoxy-2-methylphenyl)-2-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide
PubChem CID124743972
Molecular FormulaC21H33NO4
Molecular Weight363.50 g/mol
Exact Mass363.24
IUPAC NameN-(4,5-dimethoxy-2-methylphenyl)-2-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide
SMILESCOc1cc(C)c(NC(=O)CO[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)cc1OC
InChIInChI=1S/C21H33NO4/c1-13(2)16-8-7-14(3)9-18(16)26-12-21(23)22-17-11-20(25-6)19(24-5)10-15(17)4/h10-11,13-14,16,18H,7-9,12H2,1-6H3,(H,22,23)/t14-,16-,18+/m0/s1
InChIKeyZGZCAGZQKAIQKF-QILLFSRXSA-N
XLogP4.43
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4,5-dimethoxy-2-methylphenyl)-2-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide with MolForge

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Related Compounds

N-(3,4-dimethylphenyl)sulfonyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide
CID 166181611
N-ethyl-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]benzamide
CID 166206981
N-methyl-4-[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]benzamide
CID 51671329
(2S)-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]propanoic acid
CID 119943112
N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide
CID 166180590
2-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide
CID 68536872
2-[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetic acid
CID 25277154
2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl chloride
CID 12543931
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide
CID 51725876
3-methyl-1-[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxybutan-2-one
CID 130410144
2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate
CID 7164421
1-[3-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]-4-[(2-phenylacetyl)amino]phenyl]piperidine-4-carboxylic acid
CID 70039155

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-2-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide?
The IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-2-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide (CID 124743972) is N-(4,5-dimethoxy-2-methylphenyl)-2-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide.
What is the SMILES notation for N-(4,5-dimethoxy-2-methylphenyl)-2-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide?
The canonical SMILES for N-(4,5-dimethoxy-2-methylphenyl)-2-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide is COc1cc(C)c(NC(=O)CO[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)cc1OC.
What is the InChIKey of N-(4,5-dimethoxy-2-methylphenyl)-2-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide?
The InChIKey is ZGZCAGZQKAIQKF-QILLFSRXSA-N. The full InChI is InChI=1S/C21H33NO4/c1-13(2)16-8-7-14(3)9-18(16)26-12-21(23)22-17-11-20(25-6)19(24-5)10-15(17)4/h10-11,13-14,16,18H,7-9,12H2,1-6H3,(H,22,23)/t14-,16-,18+/m0/s1.
What are the key properties of N-(4,5-dimethoxy-2-methylphenyl)-2-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide?
N-(4,5-dimethoxy-2-methylphenyl)-2-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide has a molecular weight of 363.50 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethoxy-2-methylphenyl)-2-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide is sourced from PubChem (CID 124743972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).