3-phenylpropyl carbamate

C10H13NO2 — CID 4770

IUPAC3-phenylpropyl carbamate
SMILESNC(=O)OCCCc1ccccc1
InChIInChI=1S/C10H13NO2/c11-10(12)13-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H2,11,12)
InChIKeyCAMYKONBWHRPDD-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.71
Rot. Bonds4

About 3-phenylpropyl carbamate

3-phenylpropyl carbamate (PubChem CID 4770) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 3-phenylpropyl carbamate.

Molecular Properties

Compound Name3-phenylpropyl carbamate
PubChem CID4770
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name3-phenylpropyl carbamate
SMILESNC(=O)OCCCc1ccccc1
InChIInChI=1S/C10H13NO2/c11-10(12)13-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H2,11,12)
InChIKeyCAMYKONBWHRPDD-UHFFFAOYSA-N
XLogP1.71
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Felbamate
CID 3331
2-Phenylethyl formate
CID 7711
3-Phenylpropyl acetate
CID 31226
Solriamfetol
CID 10130337
3-Phenylpropyl formate
CID 61010
2-Phenyl-1,3-propanediol monocarbamate
CID 213060
Solriamfetol (2-amino-3-phenylpropyl carbamate; benzenepropanol, beta-amino-, carbamate (ester))
CID 11708214
Benzyl carbamate
CID 12136
Felbamate hydrate
CID 23581812
Phenethyl carbamate
CID 233105
Benzeneethanol, beta-ethyl-, 1-carbamate
CID 59898507
Fluorofelbamate
CID 6918615

Frequently Asked Questions

What is the IUPAC name of 3-phenylpropyl carbamate?
The IUPAC name of 3-phenylpropyl carbamate (CID 4770) is 3-phenylpropyl carbamate.
What is the SMILES notation for 3-phenylpropyl carbamate?
The canonical SMILES for 3-phenylpropyl carbamate is NC(=O)OCCCc1ccccc1.
What is the InChIKey of 3-phenylpropyl carbamate?
The InChIKey is CAMYKONBWHRPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c11-10(12)13-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H2,11,12).
What are the key properties of 3-phenylpropyl carbamate?
3-phenylpropyl carbamate has a molecular weight of 179.22 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylpropyl carbamate is sourced from PubChem (CID 4770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).