N-(2-methylcyclohexyl)-2-(3,4,5-trimethoxyanilino)acetamide

C18H28N2O4 — CID 78808028

IUPACN-(2-methylcyclohexyl)-2-(3,4,5-trimethoxyanilino)acetamide
SMILESCOc1cc(NCC(=O)NC2CCCCC2C)cc(OC)c1OC
InChIInChI=1S/C18H28N2O4/c1-12-7-5-6-8-14(12)20-17(21)11-19-13-9-15(22-2)18(24-4)16(10-13)23-3/h9-10,12,14,19H,5-8,11H2,1-4H3,(H,20,21)
InChIKeyFEUSYWGVXVMDLE-UHFFFAOYSA-N
MW336.43 g/mol
LogP2.82
Rot. Bonds7

About N-(2-methylcyclohexyl)-2-(3,4,5-trimethoxyanilino)acetamide

N-(2-methylcyclohexyl)-2-(3,4,5-trimethoxyanilino)acetamide (PubChem CID 78808028) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-2-(3,4,5-trimethoxyanilino)acetamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-2-(3,4,5-trimethoxyanilino)acetamide
PubChem CID78808028
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC NameN-(2-methylcyclohexyl)-2-(3,4,5-trimethoxyanilino)acetamide
SMILESCOc1cc(NCC(=O)NC2CCCCC2C)cc(OC)c1OC
InChIInChI=1S/C18H28N2O4/c1-12-7-5-6-8-14(12)20-17(21)11-19-13-9-15(22-2)18(24-4)16(10-13)23-3/h9-10,12,14,19H,5-8,11H2,1-4H3,(H,20,21)
InChIKeyFEUSYWGVXVMDLE-UHFFFAOYSA-N
XLogP2.82
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylcyclohexyl)acetamide
CID 46797821
2-(3-bromo-5-chloro-2-methoxyanilino)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 30645340
N-[(1R,2S)-2-methylcyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 9084467
N-(2,3-dimethylcyclohexyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 51165959
2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 25349723
3,4-dimethoxy-N-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]benzamide
CID 46651506
N-(4-methoxyphenyl)-4-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]benzamide
CID 55345343
3,4,5-trimethoxy-N-[1-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidin-4-yl]benzamide
CID 25415149
1-[(1S,2R)-2-methylcyclohexyl]-3-[(3,4,5-trimethoxybenzoyl)amino]thiourea
CID 8624992
1-(4-methylpiperidin-1-yl)-2-(3,4,5-trimethoxyanilino)ethanone
CID 108993787
3-chloro-4,5-dimethoxy-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 9403796
2-(5-chloro-2-methoxyphenyl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 9084409

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-2-(3,4,5-trimethoxyanilino)acetamide?
The IUPAC name of N-(2-methylcyclohexyl)-2-(3,4,5-trimethoxyanilino)acetamide (CID 78808028) is N-(2-methylcyclohexyl)-2-(3,4,5-trimethoxyanilino)acetamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-2-(3,4,5-trimethoxyanilino)acetamide?
The canonical SMILES for N-(2-methylcyclohexyl)-2-(3,4,5-trimethoxyanilino)acetamide is COc1cc(NCC(=O)NC2CCCCC2C)cc(OC)c1OC.
What is the InChIKey of N-(2-methylcyclohexyl)-2-(3,4,5-trimethoxyanilino)acetamide?
The InChIKey is FEUSYWGVXVMDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-12-7-5-6-8-14(12)20-17(21)11-19-13-9-15(22-2)18(24-4)16(10-13)23-3/h9-10,12,14,19H,5-8,11H2,1-4H3,(H,20,21).
What are the key properties of N-(2-methylcyclohexyl)-2-(3,4,5-trimethoxyanilino)acetamide?
N-(2-methylcyclohexyl)-2-(3,4,5-trimethoxyanilino)acetamide has a molecular weight of 336.43 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-2-(3,4,5-trimethoxyanilino)acetamide is sourced from PubChem (CID 78808028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).