ethyl N-[(3-methylphenyl)carbamoyl]carbamate

C11H14N2O3 — CID 59576587

IUPACethyl N-[(3-methylphenyl)carbamoyl]carbamate
SMILESCCOC(=O)NC(=O)Nc1cccc(C)c1
InChIInChI=1S/C11H14N2O3/c1-3-16-11(15)13-10(14)12-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3,(H2,12,13,14,15)
InChIKeyMJULDLZRFSYBBH-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.27
Rot. Bonds2

About ethyl N-[(3-methylphenyl)carbamoyl]carbamate

ethyl N-[(3-methylphenyl)carbamoyl]carbamate (PubChem CID 59576587) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is ethyl N-[(3-methylphenyl)carbamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(3-methylphenyl)carbamoyl]carbamate
PubChem CID59576587
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Nameethyl N-[(3-methylphenyl)carbamoyl]carbamate
SMILESCCOC(=O)NC(=O)Nc1cccc(C)c1
InChIInChI=1S/C11H14N2O3/c1-3-16-11(15)13-10(14)12-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3,(H2,12,13,14,15)
InChIKeyMJULDLZRFSYBBH-UHFFFAOYSA-N
XLogP2.27
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[(3-methoxyphenyl)carbamoyl]carbamate
CID 13221153
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
2-[(3-methylphenyl)carbamoyloxy]ethyl N-(3-methylphenyl)carbamate
CID 176596945
ethyl N-[(3-chlorophenyl)carbamoylamino]carbamate
CID 5227471
1-hydroxy-3-(3-methylphenyl)urea
CID 10034960
[3-(ethoxycarbonylamino)phenyl]carbamic acid
CID 12763081
2-[(3-methylphenyl)carbamoylamino]acetamide
CID 47122532
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
ethane;1-[(3Z)-5-methylidenehepta-1,3-dien-2-yl]-3-(3-methylphenyl)urea
CID 144607257
N-(3-methylphenyl)acetamide
CID 10843
(2-amino-2-ethylbutyl) N-(3-methylphenyl)carbamate
CID 79338375
1-(2-amino-2-ethylbutyl)-3-(3-methylphenyl)urea
CID 113283188

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(3-methylphenyl)carbamoyl]carbamate?
The IUPAC name of ethyl N-[(3-methylphenyl)carbamoyl]carbamate (CID 59576587) is ethyl N-[(3-methylphenyl)carbamoyl]carbamate.
What is the SMILES notation for ethyl N-[(3-methylphenyl)carbamoyl]carbamate?
The canonical SMILES for ethyl N-[(3-methylphenyl)carbamoyl]carbamate is CCOC(=O)NC(=O)Nc1cccc(C)c1.
What is the InChIKey of ethyl N-[(3-methylphenyl)carbamoyl]carbamate?
The InChIKey is MJULDLZRFSYBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-3-16-11(15)13-10(14)12-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3,(H2,12,13,14,15).
What are the key properties of ethyl N-[(3-methylphenyl)carbamoyl]carbamate?
ethyl N-[(3-methylphenyl)carbamoyl]carbamate has a molecular weight of 222.24 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(3-methylphenyl)carbamoyl]carbamate is sourced from PubChem (CID 59576587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).