2-[cyclohexyl(ethyl)amino]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide

C20H32N2O4 — CID 34620482

IUPAC2-[cyclohexyl(ethyl)amino]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1cc(OC)c(OC)cc1OC)C1CCCCC1
InChIInChI=1S/C20H32N2O4/c1-5-22(16-9-7-6-8-10-16)14-20(23)21-13-15-11-18(25-3)19(26-4)12-17(15)24-2/h11-12,16H,5-10,13-14H2,1-4H3,(H,21,23)
InChIKeyQWNVACPSNGBQBW-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.98
Rot. Bonds9

About 2-[cyclohexyl(ethyl)amino]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide

2-[cyclohexyl(ethyl)amino]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide (PubChem CID 34620482) has the molecular formula C20H32N2O4 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-[cyclohexyl(ethyl)amino]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[cyclohexyl(ethyl)amino]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
PubChem CID34620482
Molecular FormulaC20H32N2O4
Molecular Weight364.49 g/mol
Exact Mass364.24
IUPAC Name2-[cyclohexyl(ethyl)amino]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1cc(OC)c(OC)cc1OC)C1CCCCC1
InChIInChI=1S/C20H32N2O4/c1-5-22(16-9-7-6-8-10-16)14-20(23)21-13-15-11-18(25-3)19(26-4)12-17(15)24-2/h11-12,16H,5-10,13-14H2,1-4H3,(H,21,23)
InChIKeyQWNVACPSNGBQBW-UHFFFAOYSA-N
XLogP2.98
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopentyl(ethyl)amino]-N-[[2-(propoxymethyl)phenyl]methyl]acetamide
CID 87017404
2-[cyclopropyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 55827221
2-(dipropylamino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 34600439
2-(4-methylpiperidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 8558421
2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 60672524
2-(azetidin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 64609355
[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate
CID 55398022
N-cyclopentyl-N-ethyl-2,4,5-trimethoxybenzamide
CID 52574017
3-bromo-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 113385120
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 126393939
1-cyclopentyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
CID 43317257
1-cyclobutyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
CID 43298524

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(ethyl)amino]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[cyclohexyl(ethyl)amino]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide (CID 34620482) is 2-[cyclohexyl(ethyl)amino]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[cyclohexyl(ethyl)amino]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[cyclohexyl(ethyl)amino]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide is CCN(CC(=O)NCc1cc(OC)c(OC)cc1OC)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(ethyl)amino]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide?
The InChIKey is QWNVACPSNGBQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4/c1-5-22(16-9-7-6-8-10-16)14-20(23)21-13-15-11-18(25-3)19(26-4)12-17(15)24-2/h11-12,16H,5-10,13-14H2,1-4H3,(H,21,23).
What are the key properties of 2-[cyclohexyl(ethyl)amino]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide?
2-[cyclohexyl(ethyl)amino]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide has a molecular weight of 364.49 g/mol, XLogP of 2.98, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(ethyl)amino]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 34620482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).