3,4,5-trimethoxy-N-[2-[(3-methylcyclohexyl)amino]ethyl]benzamide

C19H30N2O4 — CID 3403393

IUPAC3,4,5-trimethoxy-N-[2-[(3-methylcyclohexyl)amino]ethyl]benzamide
SMILESCOc1cc(C(=O)NCCNC2CCCC(C)C2)cc(OC)c1OC
InChIInChI=1S/C19H30N2O4/c1-13-6-5-7-15(10-13)20-8-9-21-19(22)14-11-16(23-2)18(25-4)17(12-14)24-3/h11-13,15,20H,5-10H2,1-4H3,(H,21,22)
InChIKeyJMHOLULUBTWTGG-UHFFFAOYSA-N
MW350.46 g/mol
LogP2.61
Rot. Bonds8

About 3,4,5-trimethoxy-N-[2-[(3-methylcyclohexyl)amino]ethyl]benzamide

3,4,5-trimethoxy-N-[2-[(3-methylcyclohexyl)amino]ethyl]benzamide (PubChem CID 3403393) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[2-[(3-methylcyclohexyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[2-[(3-methylcyclohexyl)amino]ethyl]benzamide
PubChem CID3403393
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC Name3,4,5-trimethoxy-N-[2-[(3-methylcyclohexyl)amino]ethyl]benzamide
SMILESCOc1cc(C(=O)NCCNC2CCCC(C)C2)cc(OC)c1OC
InChIInChI=1S/C19H30N2O4/c1-13-6-5-7-15(10-13)20-8-9-21-19(22)14-11-16(23-2)18(25-4)17(12-14)24-3/h11-13,15,20H,5-10H2,1-4H3,(H,21,22)
InChIKeyJMHOLULUBTWTGG-UHFFFAOYSA-N
XLogP2.61
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate
CID 108570777
N-cyclooctyl-3,4,5-trimethoxybenzamide
CID 679003
N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 51161949
3,4,5-trimethoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 99702429
N-[2-[(2,6-dimethoxybenzoyl)amino]ethyl]-3,4,5-trimethoxybenzamide
CID 108538120
N-[2-(2-ethylbutanoylamino)ethyl]-3,4,5-trimethoxybenzamide
CID 108538157
N-(4-amino-4-oxobutyl)-3,4,5-trimethoxybenzamide
CID 5235271
N-[3-(dimethylamino)propyl]-3,4,5-trimethoxybenzamide
CID 2315964
N-[2-[[(1S,3S)-3-methylcyclohexyl]amino]ethyl]furan-2-carboxamide
CID 7256034
3,4,5-trimethoxy-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzamide
CID 673811
(3S)-2-oxo-N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]piperidine-3-carboxamide
CID 7438743
3,4,5-trimethoxy-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]benzamide
CID 7120710

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[2-[(3-methylcyclohexyl)amino]ethyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[2-[(3-methylcyclohexyl)amino]ethyl]benzamide (CID 3403393) is 3,4,5-trimethoxy-N-[2-[(3-methylcyclohexyl)amino]ethyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[2-[(3-methylcyclohexyl)amino]ethyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[2-[(3-methylcyclohexyl)amino]ethyl]benzamide is COc1cc(C(=O)NCCNC2CCCC(C)C2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[2-[(3-methylcyclohexyl)amino]ethyl]benzamide?
The InChIKey is JMHOLULUBTWTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-13-6-5-7-15(10-13)20-8-9-21-19(22)14-11-16(23-2)18(25-4)17(12-14)24-3/h11-13,15,20H,5-10H2,1-4H3,(H,21,22).
What are the key properties of 3,4,5-trimethoxy-N-[2-[(3-methylcyclohexyl)amino]ethyl]benzamide?
3,4,5-trimethoxy-N-[2-[(3-methylcyclohexyl)amino]ethyl]benzamide has a molecular weight of 350.46 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[2-[(3-methylcyclohexyl)amino]ethyl]benzamide is sourced from PubChem (CID 3403393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).