3-[[2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]acetyl]amino]-N-ethylbenzamide

C25H34N4O2 — CID 41391031

IUPAC3-[[2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)CNc2ccccc2CN(C)C2CCCCC2)c1
InChIInChI=1S/C25H34N4O2/c1-3-26-25(31)19-11-9-12-21(16-19)28-24(30)17-27-23-15-8-7-10-20(23)18-29(2)22-13-5-4-6-14-22/h7-12,15-16,22,27H,3-6,13-14,17-18H2,1-2H3,(H,26,31)(H,28,30)
InChIKeyKPYVCHOZNXLDCD-UHFFFAOYSA-N
MW422.57 g/mol
LogP4.25
Rot. Bonds9

About 3-[[2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]acetyl]amino]-N-ethylbenzamide

3-[[2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]acetyl]amino]-N-ethylbenzamide (PubChem CID 41391031) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is 3-[[2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]acetyl]amino]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[[2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]acetyl]amino]-N-ethylbenzamide
PubChem CID41391031
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC Name3-[[2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)CNc2ccccc2CN(C)C2CCCCC2)c1
InChIInChI=1S/C25H34N4O2/c1-3-26-25(31)19-11-9-12-21(16-19)28-24(30)17-27-23-15-8-7-10-20(23)18-29(2)22-13-5-4-6-14-22/h7-12,15-16,22,27H,3-6,13-14,17-18H2,1-2H3,(H,26,31)(H,28,30)
InChIKeyKPYVCHOZNXLDCD-UHFFFAOYSA-N
XLogP4.25
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)-2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]acetamide
CID 9104665
2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-(cyclopropylmethyl)acetamide
CID 78842111
N-[3-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55871483
2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-(2-methylbutan-2-yl)acetamide
CID 32901720
N-ethyl-3-[[2-[2-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 34078183
2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
CID 24510760
2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-(cyclopropylcarbamoyl)acetamide
CID 55365381
N-ethyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54838048
3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-ethylbenzamide
CID 54837721
4-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-3-methyl-N-propan-2-ylbenzamide
CID 60561506
methyl 3-[[2-(2-ethylanilino)acetyl]amino]benzoate
CID 109007616
N-tert-butyl-3-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844494

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]acetyl]amino]-N-ethylbenzamide?
The IUPAC name of 3-[[2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]acetyl]amino]-N-ethylbenzamide (CID 41391031) is 3-[[2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]acetyl]amino]-N-ethylbenzamide.
What is the SMILES notation for 3-[[2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]acetyl]amino]-N-ethylbenzamide?
The canonical SMILES for 3-[[2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]acetyl]amino]-N-ethylbenzamide is CCNC(=O)c1cccc(NC(=O)CNc2ccccc2CN(C)C2CCCCC2)c1.
What is the InChIKey of 3-[[2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]acetyl]amino]-N-ethylbenzamide?
The InChIKey is KPYVCHOZNXLDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-3-26-25(31)19-11-9-12-21(16-19)28-24(30)17-27-23-15-8-7-10-20(23)18-29(2)22-13-5-4-6-14-22/h7-12,15-16,22,27H,3-6,13-14,17-18H2,1-2H3,(H,26,31)(H,28,30).
What are the key properties of 3-[[2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]acetyl]amino]-N-ethylbenzamide?
3-[[2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]acetyl]amino]-N-ethylbenzamide has a molecular weight of 422.57 g/mol, XLogP of 4.25, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]acetyl]amino]-N-ethylbenzamide is sourced from PubChem (CID 41391031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).