ethyl(phenylmethoxy)carbamic acid

C10H13NO3 — CID 87326753

IUPACethyl(phenylmethoxy)carbamic acid
SMILESCCN(OCc1ccccc1)C(=O)O
InChIInChI=1S/C10H13NO3/c1-2-11(10(12)13)14-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,12,13)
InChIKeyMYWDQBZMUGAMII-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.12
Rot. Bonds4

About ethyl(phenylmethoxy)carbamic acid

ethyl(phenylmethoxy)carbamic acid (PubChem CID 87326753) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is ethyl(phenylmethoxy)carbamic acid.

Molecular Properties

Compound Nameethyl(phenylmethoxy)carbamic acid
PubChem CID87326753
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Nameethyl(phenylmethoxy)carbamic acid
SMILESCCN(OCc1ccccc1)C(=O)O
InChIInChI=1S/C10H13NO3/c1-2-11(10(12)13)14-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,12,13)
InChIKeyMYWDQBZMUGAMII-UHFFFAOYSA-N
XLogP2.12
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethyl(phenylmethoxy)carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl(phenylmethoxy)carbamic acid?
The IUPAC name of ethyl(phenylmethoxy)carbamic acid (CID 87326753) is ethyl(phenylmethoxy)carbamic acid.
What is the SMILES notation for ethyl(phenylmethoxy)carbamic acid?
The canonical SMILES for ethyl(phenylmethoxy)carbamic acid is CCN(OCc1ccccc1)C(=O)O.
What is the InChIKey of ethyl(phenylmethoxy)carbamic acid?
The InChIKey is MYWDQBZMUGAMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-2-11(10(12)13)14-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,12,13).
What are the key properties of ethyl(phenylmethoxy)carbamic acid?
ethyl(phenylmethoxy)carbamic acid has a molecular weight of 195.22 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(phenylmethoxy)carbamic acid is sourced from PubChem (CID 87326753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).