N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide

C22H35NO4 — CID 8531905

IUPACN-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide
SMILESCCC(C)(C)C1CCC(NC(=O)Cc2ccc(OC)c(OC)c2OC)CC1
InChIInChI=1S/C22H35NO4/c1-7-22(2,3)16-9-11-17(12-10-16)23-19(24)14-15-8-13-18(25-4)21(27-6)20(15)26-5/h8,13,16-17H,7,9-12,14H2,1-6H3,(H,23,24)
InChIKeyHMSUKPOEMMJJFA-UHFFFAOYSA-N
MW377.53 g/mol
LogP4.37
Rot. Bonds8

About N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide

N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide (PubChem CID 8531905) has the molecular formula C22H35NO4 and a molecular weight of 377.53 g/mol. Its IUPAC name is N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide
PubChem CID8531905
Molecular FormulaC22H35NO4
Molecular Weight377.53 g/mol
Exact Mass377.26
IUPAC NameN-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide
SMILESCCC(C)(C)C1CCC(NC(=O)Cc2ccc(OC)c(OC)c2OC)CC1
InChIInChI=1S/C22H35NO4/c1-7-22(2,3)16-9-11-17(12-10-16)23-19(24)14-15-8-13-18(25-4)21(27-6)20(15)26-5/h8,13,16-17H,7,9-12,14H2,1-6H3,(H,23,24)
InChIKeyHMSUKPOEMMJJFA-UHFFFAOYSA-N
XLogP4.37
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-acetyl-2-methoxyphenyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide
CID 18117011
N-cyclopropyl-2-[(2,3,4-trimethoxyphenyl)methylamino]acetamide
CID 43430495
N-[(1R,2S)-2-methylcyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 9084467
N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 25494679
4-methoxy-N-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]benzamide
CID 33295122
2-(5-amino-2-pyridinyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide
CID 120618487
N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-propan-2-yloxyacetamide
CID 112686677
3-(cyclopropylamino)-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
CID 60867060
ethyl 4-[[N'-[2-(2,3,4-trimethoxyphenyl)ethyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111080389
N-pentan-2-yl-2-(2,3,4-trimethoxyphenyl)acetamide
CID 18089547
N-cyclopropyl-2-(2,3-dimethoxyphenoxy)acetamide
CID 112978329
2-(cyclopropylmethylamino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide;hydrochloride
CID 119716059

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide?
The IUPAC name of N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide (CID 8531905) is N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide?
The canonical SMILES for N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide is CCC(C)(C)C1CCC(NC(=O)Cc2ccc(OC)c(OC)c2OC)CC1.
What is the InChIKey of N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide?
The InChIKey is HMSUKPOEMMJJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NO4/c1-7-22(2,3)16-9-11-17(12-10-16)23-19(24)14-15-8-13-18(25-4)21(27-6)20(15)26-5/h8,13,16-17H,7,9-12,14H2,1-6H3,(H,23,24).
What are the key properties of N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide?
N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide has a molecular weight of 377.53 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide is sourced from PubChem (CID 8531905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).