propyl N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]carbamate

C13H19NO4 — CID 23563491

IUPACpropyl N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]carbamate
SMILESCCCOC(=O)NCCc1ccc(OC)c(O)c1
InChIInChI=1S/C13H19NO4/c1-3-8-18-13(16)14-7-6-10-4-5-12(17-2)11(15)9-10/h4-5,9,15H,3,6-8H2,1-2H3,(H,14,16)
InChIKeyIXQULIVSSHELQV-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.08
Rot. Bonds6

About propyl N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]carbamate

propyl N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]carbamate (PubChem CID 23563491) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is propyl N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]carbamate.

Molecular Properties

Compound Namepropyl N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]carbamate
PubChem CID23563491
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Namepropyl N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]carbamate
SMILESCCCOC(=O)NCCc1ccc(OC)c(O)c1
InChIInChI=1S/C13H19NO4/c1-3-8-18-13(16)14-7-6-10-4-5-12(17-2)11(15)9-10/h4-5,9,15H,3,6-8H2,1-2H3,(H,14,16)
InChIKeyIXQULIVSSHELQV-UHFFFAOYSA-N
XLogP2.08
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

propyl N-[2-(4-methoxy-3-methylphenyl)ethyl]carbamate
CID 23563495
2-(3-hydroxy-4-methoxyphenyl)ethylcarbamic acid
CID 174214574
2-chloro-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]acetamide
CID 82110100
propyl N-[2-(4-bromo-2-hydroxy-5-methoxyphenyl)ethyl]carbamate
CID 168944771
benzyl N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]carbamate
CID 14018351
1,7-bis(3-hydroxy-4-methoxyphenyl)heptane-3,5-dione
CID 22501459
ethyl N-[2-(3,4-dimethylphenyl)ethyl]carbamate
CID 110787279
ethyl 3-(3-hydroxy-4-methoxyphenyl)propanoate
CID 10867928
N-[2-(4-aminophenyl)ethyl]-3-hydroxy-4-methoxybenzamide
CID 79737144
5-[4-(3-hydroxy-4-methoxyphenyl)butyl]-2-methoxyphenol
CID 57066187
ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate
CID 60637680
4-(4-hydroxy-3-methoxyphenyl)-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]but-2-enamide
CID 163093777

Frequently Asked Questions

What is the IUPAC name of propyl N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]carbamate?
The IUPAC name of propyl N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]carbamate (CID 23563491) is propyl N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]carbamate.
What is the SMILES notation for propyl N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]carbamate?
The canonical SMILES for propyl N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]carbamate is CCCOC(=O)NCCc1ccc(OC)c(O)c1.
What is the InChIKey of propyl N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]carbamate?
The InChIKey is IXQULIVSSHELQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-3-8-18-13(16)14-7-6-10-4-5-12(17-2)11(15)9-10/h4-5,9,15H,3,6-8H2,1-2H3,(H,14,16).
What are the key properties of propyl N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]carbamate?
propyl N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]carbamate has a molecular weight of 253.30 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]carbamate is sourced from PubChem (CID 23563491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).