amino N-(4-methylphenyl)carbamate

C8H10N2O2 — CID 22737872

IUPACamino N-(4-methylphenyl)carbamate
SMILESCc1ccc(NC(=O)ON)cc1
InChIInChI=1S/C8H10N2O2/c1-6-2-4-7(5-3-6)10-8(11)12-9/h2-5H,9H2,1H3,(H,10,11)
InChIKeyDSQRMGDISZNHRS-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.42
Rot. Bonds1

About amino N-(4-methylphenyl)carbamate

amino N-(4-methylphenyl)carbamate (PubChem CID 22737872) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is amino N-(4-methylphenyl)carbamate.

Molecular Properties

Compound Nameamino N-(4-methylphenyl)carbamate
PubChem CID22737872
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Nameamino N-(4-methylphenyl)carbamate
SMILESCc1ccc(NC(=O)ON)cc1
InChIInChI=1S/C8H10N2O2/c1-6-2-4-7(5-3-6)10-8(11)12-9/h2-5H,9H2,1H3,(H,10,11)
InChIKeyDSQRMGDISZNHRS-UHFFFAOYSA-N
XLogP1.42
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.42
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

ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598
butane;methyl N-(4-methylphenyl)carbamate
CID 155739087
methanamine;N-(4-methylphenyl)acetamide
CID 142152295
N-(4-methylphenyl)acetamide
CID 7684
2-ethoxyethyl N-(4-methylphenyl)carbamate
CID 4614670
1-(4-methylphenyl)-3-propan-2-yloxyurea
CID 5118851
[N'-(4-methylphenyl)carbamimidoyl] N-(4-methylphenyl)carbamate
CID 68500642
(3-aminocyclobutyl) N-(4-methylphenyl)carbamate
CID 79346677
1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea
CID 54178073
[(2R)-2,3-dimethylbutyl] N-(4-methylphenyl)carbamate;molecular hydrogen
CID 155739096
(4-methylphenyl)methyl N-[4-(2-amino-2-oxoethyl)phenyl]carbamate
CID 171824814
pyridin-4-ylmethyl N-(4-methylphenyl)carbamate
CID 21000

Frequently Asked Questions

What is the IUPAC name of amino N-(4-methylphenyl)carbamate?
The IUPAC name of amino N-(4-methylphenyl)carbamate (CID 22737872) is amino N-(4-methylphenyl)carbamate.
What is the SMILES notation for amino N-(4-methylphenyl)carbamate?
The canonical SMILES for amino N-(4-methylphenyl)carbamate is Cc1ccc(NC(=O)ON)cc1.
What is the InChIKey of amino N-(4-methylphenyl)carbamate?
The InChIKey is DSQRMGDISZNHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-6-2-4-7(5-3-6)10-8(11)12-9/h2-5H,9H2,1H3,(H,10,11).
What are the key properties of amino N-(4-methylphenyl)carbamate?
amino N-(4-methylphenyl)carbamate has a molecular weight of 166.18 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino N-(4-methylphenyl)carbamate is sourced from PubChem (CID 22737872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).