phenyl N-(methylamino)carbamate

C8H10N2O2 — CID 59676988

IUPACphenyl N-(methylamino)carbamate
SMILESCNNC(=O)Oc1ccccc1
InChIInChI=1S/C8H10N2O2/c1-9-10-8(11)12-7-5-3-2-4-6-7/h2-6,9H,1H3,(H,10,11)
InChIKeyDJLVRRYSGRBBSR-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.91
Rot. Bonds2

About phenyl N-(methylamino)carbamate

phenyl N-(methylamino)carbamate (PubChem CID 59676988) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is phenyl N-(methylamino)carbamate.

Molecular Properties

Compound Namephenyl N-(methylamino)carbamate
PubChem CID59676988
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Namephenyl N-(methylamino)carbamate
SMILESCNNC(=O)Oc1ccccc1
InChIInChI=1S/C8H10N2O2/c1-9-10-8(11)12-7-5-3-2-4-6-7/h2-6,9H,1H3,(H,10,11)
InChIKeyDJLVRRYSGRBBSR-UHFFFAOYSA-N
XLogP0.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

phenyl N-(phenoxycarbonylamino)carbamate
CID 14365715
phenyl N-phenoxycarbonylcarbamate
CID 11043392
phenyl N-[(E)-3-(phenoxycarbonylamino)but-2-en-2-yl]carbamate
CID 166171820
phenyl N-benzoylcarbamate
CID 66560330
phenyl N-(2-oxopropyl)carbamate
CID 18713777
benzyl N-(methylamino)carbamate;hydrochloride
CID 24801390
diphenyl oxalate;ethane
CID 162013592
phenyl N-(1,3-oxazol-2-ylamino)carbamate
CID 175311416
phenyl N-(1-methylcyclodecyl)carbamate
CID 130359275
ethane;methyl phenyl carbonate
CID 91113838
dimethyl carbonate;methyl phenyl carbonate
CID 70311897
[3-(phenoxycarbonylamino)phenyl] N-methylcarbamate
CID 134105214

Frequently Asked Questions

What is the IUPAC name of phenyl N-(methylamino)carbamate?
The IUPAC name of phenyl N-(methylamino)carbamate (CID 59676988) is phenyl N-(methylamino)carbamate.
What is the SMILES notation for phenyl N-(methylamino)carbamate?
The canonical SMILES for phenyl N-(methylamino)carbamate is CNNC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-(methylamino)carbamate?
The InChIKey is DJLVRRYSGRBBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-9-10-8(11)12-7-5-3-2-4-6-7/h2-6,9H,1H3,(H,10,11).
What are the key properties of phenyl N-(methylamino)carbamate?
phenyl N-(methylamino)carbamate has a molecular weight of 166.18 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(methylamino)carbamate is sourced from PubChem (CID 59676988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).