methyl N-[2-[4-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-methylcarbamate

C19H27N3O4 — CID 51121340

IUPACmethyl N-[2-[4-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-methylcarbamate
SMILESCOC(=O)N(C)CC(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1C
InChIInChI=1S/C19H27N3O4/c1-13-11-14(18(24)20-15-7-5-4-6-8-15)9-10-16(13)21-17(23)12-22(2)19(25)26-3/h9-11,15H,4-8,12H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyWFKKFFVJVWQHAW-UHFFFAOYSA-N
MW361.44 g/mol
LogP2.69
Rot. Bonds5

About methyl N-[2-[4-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-methylcarbamate

methyl N-[2-[4-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-methylcarbamate (PubChem CID 51121340) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is methyl N-[2-[4-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-[2-[4-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-methylcarbamate
PubChem CID51121340
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Namemethyl N-[2-[4-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-methylcarbamate
SMILESCOC(=O)N(C)CC(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1C
InChIInChI=1S/C19H27N3O4/c1-13-11-14(18(24)20-15-7-5-4-6-8-15)9-10-16(13)21-17(23)12-22(2)19(25)26-3/h9-11,15H,4-8,12H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyWFKKFFVJVWQHAW-UHFFFAOYSA-N
XLogP2.69
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-aminoacetyl)amino]-N-cyclohexyl-3-methylbenzamide;hydrochloride
CID 119283092
N-cyclohexyl-4-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-3-methylbenzamide
CID 51121339
N-cyclohexyl-4-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]-3-methylbenzamide
CID 55879550
4-(4-aminobutanoylamino)-N-cyclohexyl-3-methylbenzamide
CID 119283103
N-cycloheptyl-4-(ethylamino)-3-methylbenzamide
CID 63210563
N-cyclohexyl-3-methyl-4-[4-(methylamino)butanoylamino]benzamide;hydrochloride
CID 119711987
N-cyclopentyl-4-(cyclopropylcarbamoylamino)-3-methylbenzamide
CID 48645772
4-(4-aminobutanoylamino)-N-cyclopentyl-3-methylbenzamide;hydrochloride
CID 119305977
N-cyclohexyl-4-[(3-ethoxy-4-methoxybenzoyl)amino]-3-methylbenzamide
CID 55879424
N-[4-(cyclopentylcarbamoyl)-2-methylphenyl]azepane-1-carboxamide
CID 48645800
N-cyclohexyl-3-methyl-4-[[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]benzamide
CID 55917998
3-benzamido-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-4-methylbenzamide
CID 55878666

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[4-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-methylcarbamate?
The IUPAC name of methyl N-[2-[4-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-methylcarbamate (CID 51121340) is methyl N-[2-[4-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-methylcarbamate.
What is the SMILES notation for methyl N-[2-[4-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-methylcarbamate?
The canonical SMILES for methyl N-[2-[4-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-methylcarbamate is COC(=O)N(C)CC(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1C.
What is the InChIKey of methyl N-[2-[4-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-methylcarbamate?
The InChIKey is WFKKFFVJVWQHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-13-11-14(18(24)20-15-7-5-4-6-8-15)9-10-16(13)21-17(23)12-22(2)19(25)26-3/h9-11,15H,4-8,12H2,1-3H3,(H,20,24)(H,21,23).
What are the key properties of methyl N-[2-[4-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-methylcarbamate?
methyl N-[2-[4-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-methylcarbamate has a molecular weight of 361.44 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[4-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-methylcarbamate is sourced from PubChem (CID 51121340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).