[3-(methoxycarbonylamino)phenyl] N-(2-cyanoethyl)-N-(3-methylphenyl)carbamate

C19H19N3O4 — CID 22756963

IUPAC[3-(methoxycarbonylamino)phenyl] N-(2-cyanoethyl)-N-(3-methylphenyl)carbamate
SMILESCOC(=O)Nc1cccc(OC(=O)N(CCC#N)c2cccc(C)c2)c1
InChIInChI=1S/C19H19N3O4/c1-14-6-3-8-16(12-14)22(11-5-10-20)19(24)26-17-9-4-7-15(13-17)21-18(23)25-2/h3-4,6-9,12-13H,5,11H2,1-2H3,(H,21,23)
InChIKeyYFMYWZMYOLNQSH-UHFFFAOYSA-N
MW353.38 g/mol
LogP4.09
Rot. Bonds5

About [3-(methoxycarbonylamino)phenyl] N-(2-cyanoethyl)-N-(3-methylphenyl)carbamate

[3-(methoxycarbonylamino)phenyl] N-(2-cyanoethyl)-N-(3-methylphenyl)carbamate (PubChem CID 22756963) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is [3-(methoxycarbonylamino)phenyl] N-(2-cyanoethyl)-N-(3-methylphenyl)carbamate.

Molecular Properties

Compound Name[3-(methoxycarbonylamino)phenyl] N-(2-cyanoethyl)-N-(3-methylphenyl)carbamate
PubChem CID22756963
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name[3-(methoxycarbonylamino)phenyl] N-(2-cyanoethyl)-N-(3-methylphenyl)carbamate
SMILESCOC(=O)Nc1cccc(OC(=O)N(CCC#N)c2cccc(C)c2)c1
InChIInChI=1S/C19H19N3O4/c1-14-6-3-8-16(12-14)22(11-5-10-20)19(24)26-17-9-4-7-15(13-17)21-18(23)25-2/h3-4,6-9,12-13H,5,11H2,1-2H3,(H,21,23)
InChIKeyYFMYWZMYOLNQSH-UHFFFAOYSA-N
XLogP4.09
TPSA91.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(prop-2-enylcarbamoylamino)phenyl] N-(cyanomethyl)-N-(3-methylphenyl)carbamate
CID 54390288
[3-(ethanethioylamino)phenyl] N-(2-ethoxyethyl)-N-(3-methylphenyl)carbamate
CID 154324215
(3-methylphenyl) N-(2-cyanoethyl)-N-methylcarbamate
CID 116819905
methyl 3-[2-cyanoethyl-(3-methylphenyl)carbamoyl]benzoate
CID 47092177
[3-(ethoxycarbonylamino)phenyl] N-(cyanomethyl)-N-(2,6-dimethylphenyl)carbamate
CID 22756995
1-ethyl-3-(3-methoxyphenyl)-1-(3-methylphenyl)urea
CID 108869177
[3-(propan-2-yloxycarbonylamino)phenyl] N-(2-bromoethyl)-N-(4-methylphenyl)carbamate
CID 57260750
2-(N-acetyl-3-methylanilino)-N-(3-methoxyphenyl)acetamide
CID 113167583
[3-(prop-2-ynoxycarbonylamino)phenyl] N-butyl-N-phenylcarbamate
CID 14372424
[3-(ethoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate;[3-(ethoxycarbonylamino)phenyl] N-phenylcarbamate;[3-(methoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate;methyl N-(3,4-dichlorophenyl)carbamate;[3-(propan-2-yloxycarbonylamino)phenyl] N-ethyl-N-phenylcarbamate;propan-2-yl N-phenylcarbamate
CID 173164325
1-(2-cyanoethyl)-1-methyl-3-(3-methylphenyl)thiourea
CID 7942269
(3-methylphenyl) N-(3-ethoxyphenyl)carbamate
CID 56690131

Frequently Asked Questions

What is the IUPAC name of [3-(methoxycarbonylamino)phenyl] N-(2-cyanoethyl)-N-(3-methylphenyl)carbamate?
The IUPAC name of [3-(methoxycarbonylamino)phenyl] N-(2-cyanoethyl)-N-(3-methylphenyl)carbamate (CID 22756963) is [3-(methoxycarbonylamino)phenyl] N-(2-cyanoethyl)-N-(3-methylphenyl)carbamate.
What is the SMILES notation for [3-(methoxycarbonylamino)phenyl] N-(2-cyanoethyl)-N-(3-methylphenyl)carbamate?
The canonical SMILES for [3-(methoxycarbonylamino)phenyl] N-(2-cyanoethyl)-N-(3-methylphenyl)carbamate is COC(=O)Nc1cccc(OC(=O)N(CCC#N)c2cccc(C)c2)c1.
What is the InChIKey of [3-(methoxycarbonylamino)phenyl] N-(2-cyanoethyl)-N-(3-methylphenyl)carbamate?
The InChIKey is YFMYWZMYOLNQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-14-6-3-8-16(12-14)22(11-5-10-20)19(24)26-17-9-4-7-15(13-17)21-18(23)25-2/h3-4,6-9,12-13H,5,11H2,1-2H3,(H,21,23).
What are the key properties of [3-(methoxycarbonylamino)phenyl] N-(2-cyanoethyl)-N-(3-methylphenyl)carbamate?
[3-(methoxycarbonylamino)phenyl] N-(2-cyanoethyl)-N-(3-methylphenyl)carbamate has a molecular weight of 353.38 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxycarbonylamino)phenyl] N-(2-cyanoethyl)-N-(3-methylphenyl)carbamate is sourced from PubChem (CID 22756963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).