N-(2-ethylphenyl)-2-[methyl-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetamide

C21H33N3O2 — CID 86908418

IUPACN-(2-ethylphenyl)-2-[methyl-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetamide
SMILESCCc1ccccc1NC(=O)CN(C)CC(=O)N(C)C1CCC(C)CC1
InChIInChI=1S/C21H33N3O2/c1-5-17-8-6-7-9-19(17)22-20(25)14-23(3)15-21(26)24(4)18-12-10-16(2)11-13-18/h6-9,16,18H,5,10-15H2,1-4H3,(H,22,25)
InChIKeyJUCLTKYXDPXJLN-UHFFFAOYSA-N
MW359.51 g/mol
LogP3.16
Rot. Bonds7

About N-(2-ethylphenyl)-2-[methyl-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetamide

N-(2-ethylphenyl)-2-[methyl-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetamide (PubChem CID 86908418) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[methyl-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[methyl-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetamide
PubChem CID86908418
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC NameN-(2-ethylphenyl)-2-[methyl-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetamide
SMILESCCc1ccccc1NC(=O)CN(C)CC(=O)N(C)C1CCC(C)CC1
InChIInChI=1S/C21H33N3O2/c1-5-17-8-6-7-9-19(17)22-20(25)14-23(3)15-21(26)24(4)18-12-10-16(2)11-13-18/h6-9,16,18H,5,10-15H2,1-4H3,(H,22,25)
InChIKeyJUCLTKYXDPXJLN-UHFFFAOYSA-N
XLogP3.16
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 78816919
N-cyclohexyl-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 17485054
N-(2-ethylphenyl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide
CID 27095559
2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
CID 18135262
2-cyclopentyl-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
CID 51146982
2-[methyl-(4-methylcyclohexyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 51226770
N-(4-bromophenyl)-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 46562888
N-benzyl-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 18083031
2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-prop-2-ynylacetamide
CID 8789459
2-[[2-(3,5-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 9304031
3-[2-(methoxymethyl)phenyl]-1-methyl-1-(4-methylcyclohexyl)urea
CID 47034831
N'-(2-ethylphenyl)-N-(4-methylcyclohexyl)oxamide
CID 4297692

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[methyl-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[methyl-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetamide (CID 86908418) is N-(2-ethylphenyl)-2-[methyl-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[methyl-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[methyl-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetamide is CCc1ccccc1NC(=O)CN(C)CC(=O)N(C)C1CCC(C)CC1.
What is the InChIKey of N-(2-ethylphenyl)-2-[methyl-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetamide?
The InChIKey is JUCLTKYXDPXJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-5-17-8-6-7-9-19(17)22-20(25)14-23(3)15-21(26)24(4)18-12-10-16(2)11-13-18/h6-9,16,18H,5,10-15H2,1-4H3,(H,22,25).
What are the key properties of N-(2-ethylphenyl)-2-[methyl-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetamide?
N-(2-ethylphenyl)-2-[methyl-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetamide has a molecular weight of 359.51 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[methyl-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 86908418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).