(4-methylphenyl)methyl N-aminocarbamate

C9H12N2O2 — CID 13494891

IUPAC(4-methylphenyl)methyl N-aminocarbamate
SMILESCc1ccc(COC(=O)NN)cc1
InChIInChI=1S/C9H12N2O2/c1-7-2-4-8(5-3-7)6-13-9(12)11-10/h2-5H,6,10H2,1H3,(H,11,12)
InChIKeyIBERFVNCKLYYDX-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.09
Rot. Bonds2

About (4-methylphenyl)methyl N-aminocarbamate

(4-methylphenyl)methyl N-aminocarbamate (PubChem CID 13494891) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is (4-methylphenyl)methyl N-aminocarbamate.

Molecular Properties

Compound Name(4-methylphenyl)methyl N-aminocarbamate
PubChem CID13494891
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name(4-methylphenyl)methyl N-aminocarbamate
SMILESCc1ccc(COC(=O)NN)cc1
InChIInChI=1S/C9H12N2O2/c1-7-2-4-8(5-3-7)6-13-9(12)11-10/h2-5H,6,10H2,1H3,(H,11,12)
InChIKeyIBERFVNCKLYYDX-UHFFFAOYSA-N
XLogP1.09
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-fluorophenyl)methyl N-aminocarbamate
CID 131187793
1-O-ethyl 4-O-[(4-methylphenyl)methyl] butanedioate
CID 91703852
(4-methylphenyl)methyl N-[4-(2-amino-2-oxoethyl)phenyl]carbamate
CID 171824814
(4-methylphenyl)methyl ethylsulfanylformate
CID 22961917
(2S)-3-methyl-2-[(4-methylphenyl)methoxycarbonylamino]butanoic acid
CID 54315643
methyl (2S)-2-[(4-methylphenyl)methoxycarbonylamino]butanoate
CID 174250819
(4-methylphenyl)methyl 2-chloroacetate
CID 11275652
iodo (4-methylphenyl)methyl carbonate
CID 170151158
(4-methylphenyl)methyl (2S)-2,3-dimethylbutanoate
CID 59174150
(4-methylphenyl)methyl 2-[hydroxy-[2-[(4-methylphenyl)methoxy]-2-oxoethyl]amino]acetate
CID 144833958
tert-butyl (4-methylphenyl)methyl carbonate
CID 25140703
pyridin-4-ylmethyl N-(4-methylphenyl)carbamate
CID 21000

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)methyl N-aminocarbamate?
The IUPAC name of (4-methylphenyl)methyl N-aminocarbamate (CID 13494891) is (4-methylphenyl)methyl N-aminocarbamate.
What is the SMILES notation for (4-methylphenyl)methyl N-aminocarbamate?
The canonical SMILES for (4-methylphenyl)methyl N-aminocarbamate is Cc1ccc(COC(=O)NN)cc1.
What is the InChIKey of (4-methylphenyl)methyl N-aminocarbamate?
The InChIKey is IBERFVNCKLYYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-7-2-4-8(5-3-7)6-13-9(12)11-10/h2-5H,6,10H2,1H3,(H,11,12).
What are the key properties of (4-methylphenyl)methyl N-aminocarbamate?
(4-methylphenyl)methyl N-aminocarbamate has a molecular weight of 180.21 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)methyl N-aminocarbamate is sourced from PubChem (CID 13494891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).