benzyl N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-N-methylcarbamate

C19H22N2O4 — CID 124622715

IUPACbenzyl N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-N-methylcarbamate
SMILESCOc1ccc(C)cc1NC(=O)CN(C)C(=O)OCc1ccccc1
InChIInChI=1S/C19H22N2O4/c1-14-9-10-17(24-3)16(11-14)20-18(22)12-21(2)19(23)25-13-15-7-5-4-6-8-15/h4-11H,12-13H2,1-3H3,(H,20,22)
InChIKeyJBDDPYUKTDZFHI-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.21
Rot. Bonds6

About benzyl N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-N-methylcarbamate

benzyl N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-N-methylcarbamate (PubChem CID 124622715) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is benzyl N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-N-methylcarbamate.

Molecular Properties

Compound Namebenzyl N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-N-methylcarbamate
PubChem CID124622715
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Namebenzyl N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-N-methylcarbamate
SMILESCOc1ccc(C)cc1NC(=O)CN(C)C(=O)OCc1ccccc1
InChIInChI=1S/C19H22N2O4/c1-14-9-10-17(24-3)16(11-14)20-18(22)12-21(2)19(23)25-13-15-7-5-4-6-8-15/h4-11H,12-13H2,1-3H3,(H,20,22)
InChIKeyJBDDPYUKTDZFHI-UHFFFAOYSA-N
XLogP3.21
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[acetyl(benzyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 113161291
N-(2-methoxy-5-methylphenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 7354164
1-(2-methoxy-5-methylphenyl)-3-[(2-phenylacetyl)amino]urea
CID 4516972
N-(2-methoxy-5-methylphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 8002693
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 9058407
2-(benzylcarbamoylamino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 24559532
N-(2-methoxy-5-methylphenyl)-2-(2-phenylethylsulfonylamino)acetamide
CID 112998959
benzyl N-[2-[2-[(3,4-dimethylphenyl)methylidene]hydrazinyl]-2-oxoethyl]-N-methylcarbamate
CID 123497886
2-[benzyl-(2,5-dimethylphenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 100781983
3-benzylsulfanyl-N-(2-methoxy-5-methylphenyl)propanamide
CID 8797304
1-benzyl-3-(2-methoxy-5-methylphenyl)urea
CID 4694869
2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9286477

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-N-methylcarbamate?
The IUPAC name of benzyl N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-N-methylcarbamate (CID 124622715) is benzyl N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-N-methylcarbamate.
What is the SMILES notation for benzyl N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-N-methylcarbamate?
The canonical SMILES for benzyl N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-N-methylcarbamate is COc1ccc(C)cc1NC(=O)CN(C)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-N-methylcarbamate?
The InChIKey is JBDDPYUKTDZFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-14-9-10-17(24-3)16(11-14)20-18(22)12-21(2)19(23)25-13-15-7-5-4-6-8-15/h4-11H,12-13H2,1-3H3,(H,20,22).
What are the key properties of benzyl N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-N-methylcarbamate?
benzyl N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-N-methylcarbamate has a molecular weight of 342.40 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-N-methylcarbamate is sourced from PubChem (CID 124622715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).