phenyl N-(4-methoxybutyl)carbamate

C12H17NO3 — CID 61073944

IUPACphenyl N-(4-methoxybutyl)carbamate
SMILESCOCCCCNC(=O)Oc1ccccc1
InChIInChI=1S/C12H17NO3/c1-15-10-6-5-9-13-12(14)16-11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3,(H,13,14)
InChIKeyWXKYEKCEQPCYTQ-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.20
Rot. Bonds6

About phenyl N-(4-methoxybutyl)carbamate

phenyl N-(4-methoxybutyl)carbamate (PubChem CID 61073944) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is phenyl N-(4-methoxybutyl)carbamate.

Molecular Properties

Compound Namephenyl N-(4-methoxybutyl)carbamate
PubChem CID61073944
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Namephenyl N-(4-methoxybutyl)carbamate
SMILESCOCCCCNC(=O)Oc1ccccc1
InChIInChI=1S/C12H17NO3/c1-15-10-6-5-9-13-12(14)16-11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3,(H,13,14)
InChIKeyWXKYEKCEQPCYTQ-UHFFFAOYSA-N
XLogP2.20
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.20
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-(3-methoxypropyl)carbamate
CID 60636020
phenyl N-(3-bromopropyl)carbamate
CID 142499000
phenyl N-hex-5-ynylcarbamate
CID 103758023
phenyl N-(2-hydroxyethyl)carbamate
CID 10932043
3-(phenoxycarbonylamino)propyl N-(3-hydroxypropyl)carbamate
CID 101097909
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-[5-[2-(methylaminomethylamino)oxyethylamino]pentyl]carbamate
CID 154512455
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

Frequently Asked Questions

What is the IUPAC name of phenyl N-(4-methoxybutyl)carbamate?
The IUPAC name of phenyl N-(4-methoxybutyl)carbamate (CID 61073944) is phenyl N-(4-methoxybutyl)carbamate.
What is the SMILES notation for phenyl N-(4-methoxybutyl)carbamate?
The canonical SMILES for phenyl N-(4-methoxybutyl)carbamate is COCCCCNC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-(4-methoxybutyl)carbamate?
The InChIKey is WXKYEKCEQPCYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-15-10-6-5-9-13-12(14)16-11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3,(H,13,14).
What are the key properties of phenyl N-(4-methoxybutyl)carbamate?
phenyl N-(4-methoxybutyl)carbamate has a molecular weight of 223.27 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(4-methoxybutyl)carbamate is sourced from PubChem (CID 61073944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).