[3-(methylcarbamoylamino)phenyl]methyl N-methylcarbamate

C11H15N3O3 — CID 134123018

IUPAC[3-(methylcarbamoylamino)phenyl]methyl N-methylcarbamate
SMILESCNC(=O)Nc1cccc(COC(=O)NC)c1
InChIInChI=1S/C11H15N3O3/c1-12-10(15)14-9-5-3-4-8(6-9)7-17-11(16)13-2/h3-6H,7H2,1-2H3,(H,13,16)(H2,12,14,15)
InChIKeyLFZSTMNIBNHXNB-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.29
Rot. Bonds3

About [3-(methylcarbamoylamino)phenyl]methyl N-methylcarbamate

[3-(methylcarbamoylamino)phenyl]methyl N-methylcarbamate (PubChem CID 134123018) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is [3-(methylcarbamoylamino)phenyl]methyl N-methylcarbamate.

Molecular Properties

Compound Name[3-(methylcarbamoylamino)phenyl]methyl N-methylcarbamate
PubChem CID134123018
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name[3-(methylcarbamoylamino)phenyl]methyl N-methylcarbamate
SMILESCNC(=O)Nc1cccc(COC(=O)NC)c1
InChIInChI=1S/C11H15N3O3/c1-12-10(15)14-9-5-3-4-8(6-9)7-17-11(16)13-2/h3-6H,7H2,1-2H3,(H,13,16)(H2,12,14,15)
InChIKeyLFZSTMNIBNHXNB-UHFFFAOYSA-N
XLogP1.29
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(chloromethyl)phenyl]-3-methylurea
CID 141126220
1-[3-(3-aminopropyl)phenyl]-3-methylurea
CID 89494810
2-[3-(methylcarbamoylamino)phenyl]acetic acid;hydrochloride
CID 70623172
[3-(2-methylpropanoylamino)phenyl]methyl 2-methylpropanoate
CID 58730762
(3-phenoxyphenyl)methyl N-methylcarbamate
CID 23548707
tert-butyl N-[3-(carbamoyloxymethyl)phenyl]carbamate
CID 174964106
1-(3-ethoxyphenyl)-3-methylurea
CID 115584262
benzyl N-[3-(2-hydroxypropoxymethyl)phenyl]carbamate
CID 101435911
[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methyl N-methylcarbamate
CID 23548893
[6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl N-methylcarbamate
CID 4990
benzyl N-[3-(phenylcarbamoylsulfamoyl)phenyl]carbamate
CID 139878379
ethyl 2-[[3-(methylcarbamoylamino)phenyl]carbamoylamino]benzoate
CID 134104797

Frequently Asked Questions

What is the IUPAC name of [3-(methylcarbamoylamino)phenyl]methyl N-methylcarbamate?
The IUPAC name of [3-(methylcarbamoylamino)phenyl]methyl N-methylcarbamate (CID 134123018) is [3-(methylcarbamoylamino)phenyl]methyl N-methylcarbamate.
What is the SMILES notation for [3-(methylcarbamoylamino)phenyl]methyl N-methylcarbamate?
The canonical SMILES for [3-(methylcarbamoylamino)phenyl]methyl N-methylcarbamate is CNC(=O)Nc1cccc(COC(=O)NC)c1.
What is the InChIKey of [3-(methylcarbamoylamino)phenyl]methyl N-methylcarbamate?
The InChIKey is LFZSTMNIBNHXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-12-10(15)14-9-5-3-4-8(6-9)7-17-11(16)13-2/h3-6H,7H2,1-2H3,(H,13,16)(H2,12,14,15).
What are the key properties of [3-(methylcarbamoylamino)phenyl]methyl N-methylcarbamate?
[3-(methylcarbamoylamino)phenyl]methyl N-methylcarbamate has a molecular weight of 237.26 g/mol, XLogP of 1.29, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylcarbamoylamino)phenyl]methyl N-methylcarbamate is sourced from PubChem (CID 134123018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).