phenyl N-(3-methoxypropyl)carbamate

C11H15NO3 — CID 60636020

IUPACphenyl N-(3-methoxypropyl)carbamate
SMILESCOCCCNC(=O)Oc1ccccc1
InChIInChI=1S/C11H15NO3/c1-14-9-5-8-12-11(13)15-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3,(H,12,13)
InChIKeyNKNMWJCOCJFBJA-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.81
Rot. Bonds5

About phenyl N-(3-methoxypropyl)carbamate

phenyl N-(3-methoxypropyl)carbamate (PubChem CID 60636020) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is phenyl N-(3-methoxypropyl)carbamate.

Molecular Properties

Compound Namephenyl N-(3-methoxypropyl)carbamate
PubChem CID60636020
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Namephenyl N-(3-methoxypropyl)carbamate
SMILESCOCCCNC(=O)Oc1ccccc1
InChIInChI=1S/C11H15NO3/c1-14-9-5-8-12-11(13)15-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3,(H,12,13)
InChIKeyNKNMWJCOCJFBJA-UHFFFAOYSA-N
XLogP1.81
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

phenyl N-(4-methoxybutyl)carbamate
CID 61073944
3-(phenoxycarbonylamino)propyl N-(3-hydroxypropyl)carbamate
CID 101097909
phenyl N-(3-bromopropyl)carbamate
CID 142499000
(3-methoxypropylamino) phenyl carbonate
CID 142793744
phenyl N-(2-hydroxyethyl)carbamate
CID 10932043
phenyl N-(4-methoxy-2,2-dimethylbutyl)carbamate
CID 104625801
(4-methoxyphenyl) N-(2-methoxyethyl)carbamate
CID 121219063
phenyl N-(3-cyanopropyl)carbamate
CID 55209795
phenyl N-[2-(ethylamino)ethyl]carbamate
CID 62663322
phenyl N-(2-methylsulfanylethyl)carbamate
CID 60637251
phenyl N-[2-[(2-methylbenzoyl)amino]ethyl]carbamate
CID 108574783
2-(phenoxycarbonylamino)ethyl methanesulfonate
CID 87999644

Frequently Asked Questions

What is the IUPAC name of phenyl N-(3-methoxypropyl)carbamate?
The IUPAC name of phenyl N-(3-methoxypropyl)carbamate (CID 60636020) is phenyl N-(3-methoxypropyl)carbamate.
What is the SMILES notation for phenyl N-(3-methoxypropyl)carbamate?
The canonical SMILES for phenyl N-(3-methoxypropyl)carbamate is COCCCNC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-(3-methoxypropyl)carbamate?
The InChIKey is NKNMWJCOCJFBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-14-9-5-8-12-11(13)15-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3,(H,12,13).
What are the key properties of phenyl N-(3-methoxypropyl)carbamate?
phenyl N-(3-methoxypropyl)carbamate has a molecular weight of 209.25 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(3-methoxypropyl)carbamate is sourced from PubChem (CID 60636020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).