methyl N-[[3-(carbamoylamino)phenyl]methyl]carbamate

C10H13N3O3 — CID 150640545

IUPACmethyl N-[[3-(carbamoylamino)phenyl]methyl]carbamate
SMILESCOC(=O)NCc1cccc(NC(N)=O)c1
InChIInChI=1S/C10H13N3O3/c1-16-10(15)12-6-7-3-2-4-8(5-7)13-9(11)14/h2-5H,6H2,1H3,(H,12,15)(H3,11,13,14)
InChIKeyIZUQUFGLVGLUQL-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.03
Rot. Bonds3

About methyl N-[[3-(carbamoylamino)phenyl]methyl]carbamate

methyl N-[[3-(carbamoylamino)phenyl]methyl]carbamate (PubChem CID 150640545) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is methyl N-[[3-(carbamoylamino)phenyl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[3-(carbamoylamino)phenyl]methyl]carbamate
PubChem CID150640545
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Namemethyl N-[[3-(carbamoylamino)phenyl]methyl]carbamate
SMILESCOC(=O)NCc1cccc(NC(N)=O)c1
InChIInChI=1S/C10H13N3O3/c1-16-10(15)12-6-7-3-2-4-8(5-7)13-9(11)14/h2-5H,6H2,1H3,(H,12,15)(H3,11,13,14)
InChIKeyIZUQUFGLVGLUQL-UHFFFAOYSA-N
XLogP1.03
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]carbamic acid
CID 143553778
ethyl N-[[3-(2-methylpropanoylamino)phenyl]methyl]carbamate
CID 60727389
N-[[3-(carbamoylamino)phenyl]methyl]-2-cyclopentyloxyacetamide
CID 51090624
(3S)-N-[[3-(carbamoylamino)phenyl]methyl]-3-phenylpentanamide
CID 95319074
(3R)-N-[[3-(carbamoylamino)phenyl]methyl]-3-phenylpentanamide
CID 95319075
(2S)-N-[[3-(carbamoylamino)phenyl]methyl]-2-phenylsulfanylbutanamide
CID 95979709
2-[3-(methoxycarbonylamino)phenyl]acetic acid
CID 21387794
N-[[3-(carbamoylamino)phenyl]methyl]-2-[(2-chlorophenyl)methoxy]acetamide
CID 51090626
tert-butyl N-[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]phenyl]methyl]carbamate
CID 95302565
methyl N-[3-(2-aminooxyethyl)phenyl]carbamate
CID 117300253
tert-butyl N-[[3-[(3-methoxy-3-methylbutyl)amino]phenyl]methyl]carbamate
CID 107244699
[3-[[3-[(methoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]-2-methylpropyl] N-benzylcarbamate
CID 121431629

Frequently Asked Questions

What is the IUPAC name of methyl N-[[3-(carbamoylamino)phenyl]methyl]carbamate?
The IUPAC name of methyl N-[[3-(carbamoylamino)phenyl]methyl]carbamate (CID 150640545) is methyl N-[[3-(carbamoylamino)phenyl]methyl]carbamate.
What is the SMILES notation for methyl N-[[3-(carbamoylamino)phenyl]methyl]carbamate?
The canonical SMILES for methyl N-[[3-(carbamoylamino)phenyl]methyl]carbamate is COC(=O)NCc1cccc(NC(N)=O)c1.
What is the InChIKey of methyl N-[[3-(carbamoylamino)phenyl]methyl]carbamate?
The InChIKey is IZUQUFGLVGLUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-16-10(15)12-6-7-3-2-4-8(5-7)13-9(11)14/h2-5H,6H2,1H3,(H,12,15)(H3,11,13,14).
What are the key properties of methyl N-[[3-(carbamoylamino)phenyl]methyl]carbamate?
methyl N-[[3-(carbamoylamino)phenyl]methyl]carbamate has a molecular weight of 223.23 g/mol, XLogP of 1.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[3-(carbamoylamino)phenyl]methyl]carbamate is sourced from PubChem (CID 150640545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).