[4-(carbamoylamino)phenyl] N-methylcarbamate

C9H11N3O3 — CID 134123032

IUPAC[4-(carbamoylamino)phenyl] N-methylcarbamate
SMILESCNC(=O)Oc1ccc(NC(N)=O)cc1
InChIInChI=1S/C9H11N3O3/c1-11-9(14)15-7-4-2-6(3-5-7)12-8(10)13/h2-5H,1H3,(H,11,14)(H3,10,12,13)
InChIKeyULSVLAGLJDZEMV-UHFFFAOYSA-N
MW209.21 g/mol
LogP0.90
Rot. Bonds2

About [4-(carbamoylamino)phenyl] N-methylcarbamate

[4-(carbamoylamino)phenyl] N-methylcarbamate (PubChem CID 134123032) has the molecular formula C9H11N3O3 and a molecular weight of 209.21 g/mol. Its IUPAC name is [4-(carbamoylamino)phenyl] N-methylcarbamate.

Molecular Properties

Compound Name[4-(carbamoylamino)phenyl] N-methylcarbamate
PubChem CID134123032
Molecular FormulaC9H11N3O3
Molecular Weight209.21 g/mol
Exact Mass209.08
IUPAC Name[4-(carbamoylamino)phenyl] N-methylcarbamate
SMILESCNC(=O)Oc1ccc(NC(N)=O)cc1
InChIInChI=1S/C9H11N3O3/c1-11-9(14)15-7-4-2-6(3-5-7)12-8(10)13/h2-5H,1H3,(H,11,14)(H3,10,12,13)
InChIKeyULSVLAGLJDZEMV-UHFFFAOYSA-N
XLogP0.90
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-acetylphenoxy)phenyl]urea
CID 57193509
[4-(trifluoromethoxy)phenyl]urea
CID 2779224
[4-(difluoromethoxy)phenyl] N-methylcarbamate
CID 165349276
(4-acetamidophenyl) N-phenylcarbamate
CID 58706000
[4-(dimethylamino)phenyl] N-methylcarbamate;iodomethane
CID 23618192
[4-(4-hydroxybenzoyl)phenyl] N-methylcarbamate
CID 117058910
4-[4-(carbamoylamino)phenoxy]-N-methyl-1H-pyrrole-2-carboxamide
CID 141180654
[4-(2,2-dichloro-1,1-difluoroethoxy)phenyl] N-methylcarbamate
CID 154400545
[3-(phenoxycarbonylamino)phenyl] N-methylcarbamate
CID 134105214
ethyl [4-(methylcarbamoylamino)phenyl] carbonate
CID 108865616
2-bromo-N-[4-(carbamoylamino)phenyl]propanamide
CID 107903880
diethyl-methyl-[4-(methylcarbamoyloxy)phenyl]phosphanium
CID 6332717

Frequently Asked Questions

What is the IUPAC name of [4-(carbamoylamino)phenyl] N-methylcarbamate?
The IUPAC name of [4-(carbamoylamino)phenyl] N-methylcarbamate (CID 134123032) is [4-(carbamoylamino)phenyl] N-methylcarbamate.
What is the SMILES notation for [4-(carbamoylamino)phenyl] N-methylcarbamate?
The canonical SMILES for [4-(carbamoylamino)phenyl] N-methylcarbamate is CNC(=O)Oc1ccc(NC(N)=O)cc1.
What is the InChIKey of [4-(carbamoylamino)phenyl] N-methylcarbamate?
The InChIKey is ULSVLAGLJDZEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-11-9(14)15-7-4-2-6(3-5-7)12-8(10)13/h2-5H,1H3,(H,11,14)(H3,10,12,13).
What are the key properties of [4-(carbamoylamino)phenyl] N-methylcarbamate?
[4-(carbamoylamino)phenyl] N-methylcarbamate has a molecular weight of 209.21 g/mol, XLogP of 0.90, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(carbamoylamino)phenyl] N-methylcarbamate is sourced from PubChem (CID 134123032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).