N-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]cyclohexanecarboxamide

C20H29NO4 — CID 113095892

IUPACN-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]cyclohexanecarboxamide
SMILESCOc1cc(CN(C(=O)C2CCCCC2)C2CC2)cc(OC)c1OC
InChIInChI=1S/C20H29NO4/c1-23-17-11-14(12-18(24-2)19(17)25-3)13-21(16-9-10-16)20(22)15-7-5-4-6-8-15/h11-12,15-16H,4-10,13H2,1-3H3
InChIKeyMBOQAXBGSILSCS-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.78
Rot. Bonds7

About N-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]cyclohexanecarboxamide

N-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]cyclohexanecarboxamide (PubChem CID 113095892) has the molecular formula C20H29NO4 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]cyclohexanecarboxamide
PubChem CID113095892
Molecular FormulaC20H29NO4
Molecular Weight347.46 g/mol
Exact Mass347.21
IUPAC NameN-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]cyclohexanecarboxamide
SMILESCOc1cc(CN(C(=O)C2CCCCC2)C2CC2)cc(OC)c1OC
InChIInChI=1S/C20H29NO4/c1-23-17-11-14(12-18(24-2)19(17)25-3)13-21(16-9-10-16)20(22)15-7-5-4-6-8-15/h11-12,15-16H,4-10,13H2,1-3H3
InChIKeyMBOQAXBGSILSCS-UHFFFAOYSA-N
XLogP3.78
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]oxane-4-carboxamide
CID 113095939
N-cyclopropyl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 113095899
N-cyclopentyl-2-[[cyclopentyl-[(3,4,5-trimethoxyphenyl)methyl]carbamothioyl]amino]acetamide
CID 12004841
N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide
CID 113095956
3-cyclohexyl-1-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 113095856
N-cyclopropyl-N-[[5,6,7-trimethoxy-2-(2-methylphenyl)quinolin-3-yl]methyl]cyclohexanecarboxamide
CID 26332608
N-cyclopropyl-2,2-dimethyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]propanamide
CID 113095965
N-cyclopropyl-N-[[3-(2-methylpropoxy)phenyl]methyl]cyclohexanecarboxamide
CID 42378699
2-[cyclohexyl(methyl)amino]-1-(3,4,5-trimethoxyphenyl)ethanone
CID 2452744
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119286963
N-[3-methyl-1-oxo-1-[(3,4,5-trimethoxyphenyl)methylamino]butan-2-yl]cyclohexanecarboxamide
CID 24595817
3-cyclopropyl-1-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 113095862

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]cyclohexanecarboxamide?
The IUPAC name of N-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]cyclohexanecarboxamide (CID 113095892) is N-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]cyclohexanecarboxamide?
The canonical SMILES for N-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]cyclohexanecarboxamide is COc1cc(CN(C(=O)C2CCCCC2)C2CC2)cc(OC)c1OC.
What is the InChIKey of N-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]cyclohexanecarboxamide?
The InChIKey is MBOQAXBGSILSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO4/c1-23-17-11-14(12-18(24-2)19(17)25-3)13-21(16-9-10-16)20(22)15-7-5-4-6-8-15/h11-12,15-16H,4-10,13H2,1-3H3.
What are the key properties of N-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]cyclohexanecarboxamide?
N-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]cyclohexanecarboxamide has a molecular weight of 347.46 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]cyclohexanecarboxamide is sourced from PubChem (CID 113095892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).