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

C11H14N2O4 — CID 13221153

IUPACethyl N-[(3-methoxyphenyl)carbamoyl]carbamate
SMILESCCOC(=O)NC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C11H14N2O4/c1-3-17-11(15)13-10(14)12-8-5-4-6-9(7-8)16-2/h4-7H,3H2,1-2H3,(H2,12,13,14,15)
InChIKeyUADJHGGTVFONHK-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.97
Rot. Bonds3

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

ethyl N-[(3-methoxyphenyl)carbamoyl]carbamate (PubChem CID 13221153) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is ethyl N-[(3-methoxyphenyl)carbamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(3-methoxyphenyl)carbamoyl]carbamate
PubChem CID13221153
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Nameethyl N-[(3-methoxyphenyl)carbamoyl]carbamate
SMILESCCOC(=O)NC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C11H14N2O4/c1-3-17-11(15)13-10(14)12-8-5-4-6-9(7-8)16-2/h4-7H,3H2,1-2H3,(H2,12,13,14,15)
InChIKeyUADJHGGTVFONHK-UHFFFAOYSA-N
XLogP1.97
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[(3-methylphenyl)carbamoyl]carbamate
CID 59576587
ethyl 3-[2-[(3-methoxyphenyl)carbamoyl]hydrazinyl]-3-oxopropanoate
CID 90370606
ethyl N-[(3-methoxyphenyl)carbamothioylamino]carbamate
CID 2823947
3-chloro-N-[(3-methoxyphenyl)carbamoyl]propanamide
CID 43146330
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465
ethyl N-[3-(difluoromethoxy)phenyl]carbamate
CID 61062462
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
2-chloro-N-[(3-methoxyphenyl)carbamoyl]propanamide
CID 43146331
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
2-amino-N-[(3-methoxyphenyl)carbamoyl]benzamide
CID 108869162
1-(3,4-diaminophenyl)-3-(3-methoxyphenyl)urea
CID 155694037

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(3-methoxyphenyl)carbamoyl]carbamate?
The IUPAC name of ethyl N-[(3-methoxyphenyl)carbamoyl]carbamate (CID 13221153) is ethyl N-[(3-methoxyphenyl)carbamoyl]carbamate.
What is the SMILES notation for ethyl N-[(3-methoxyphenyl)carbamoyl]carbamate?
The canonical SMILES for ethyl N-[(3-methoxyphenyl)carbamoyl]carbamate is CCOC(=O)NC(=O)Nc1cccc(OC)c1.
What is the InChIKey of ethyl N-[(3-methoxyphenyl)carbamoyl]carbamate?
The InChIKey is UADJHGGTVFONHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-3-17-11(15)13-10(14)12-8-5-4-6-9(7-8)16-2/h4-7H,3H2,1-2H3,(H2,12,13,14,15).
What are the key properties of ethyl N-[(3-methoxyphenyl)carbamoyl]carbamate?
ethyl N-[(3-methoxyphenyl)carbamoyl]carbamate has a molecular weight of 238.24 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(3-methoxyphenyl)carbamoyl]carbamate is sourced from PubChem (CID 13221153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).