2-hydroxyethyl N-(4-propoxyphenyl)carbamate

C12H17NO4 — CID 79348792

IUPAC2-hydroxyethyl N-(4-propoxyphenyl)carbamate
SMILESCCCOc1ccc(NC(=O)OCCO)cc1
InChIInChI=1S/C12H17NO4/c1-2-8-16-11-5-3-10(4-6-11)13-12(15)17-9-7-14/h3-6,14H,2,7-9H2,1H3,(H,13,15)
InChIKeyQSRKMTXAIQCEIU-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.02
Rot. Bonds6

About 2-hydroxyethyl N-(4-propoxyphenyl)carbamate

2-hydroxyethyl N-(4-propoxyphenyl)carbamate (PubChem CID 79348792) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-hydroxyethyl N-(4-propoxyphenyl)carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-(4-propoxyphenyl)carbamate
PubChem CID79348792
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name2-hydroxyethyl N-(4-propoxyphenyl)carbamate
SMILESCCCOc1ccc(NC(=O)OCCO)cc1
InChIInChI=1S/C12H17NO4/c1-2-8-16-11-5-3-10(4-6-11)13-12(15)17-9-7-14/h3-6,14H,2,7-9H2,1H3,(H,13,15)
InChIKeyQSRKMTXAIQCEIU-UHFFFAOYSA-N
XLogP2.02
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-butoxyphenyl)carbamoyloxy]butyl N-(4-butoxyphenyl)carbamate
CID 122381911
2-hydroxyethyl N-(3,4-dipropoxyphenyl)carbamate
CID 79342252
2-hydroxyethyl N-[4-(propanoylamino)phenyl]carbamate
CID 79346307
2-hydroxyethyl N-[4-(cyanomethoxy)phenyl]carbamate
CID 79345574
propyl N-(4-phenylmethoxyphenyl)carbamate
CID 19169909
2-[(4-butoxyphenyl)carbamoyloxy]ethyl-triethylazanium chloride
CID 24833405
2-amino-N-(4-propoxyphenyl)propanamide
CID 62327124
N-(2-hydroxyethyl)-N'-(4-propoxyphenyl)oxamide
CID 124624780
[4-(propoxycarbonylamino)phenyl]carbamic acid
CID 70130219
2-hydroxyethyl N-(4-cyanophenyl)carbamate
CID 79345947
1-ethyl-3-(4-propoxyphenyl)urea
CID 115881886
methyl 4-(2-hydroxyethoxycarbonylamino)benzoate
CID 79346274

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-(4-propoxyphenyl)carbamate?
The IUPAC name of 2-hydroxyethyl N-(4-propoxyphenyl)carbamate (CID 79348792) is 2-hydroxyethyl N-(4-propoxyphenyl)carbamate.
What is the SMILES notation for 2-hydroxyethyl N-(4-propoxyphenyl)carbamate?
The canonical SMILES for 2-hydroxyethyl N-(4-propoxyphenyl)carbamate is CCCOc1ccc(NC(=O)OCCO)cc1.
What is the InChIKey of 2-hydroxyethyl N-(4-propoxyphenyl)carbamate?
The InChIKey is QSRKMTXAIQCEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-2-8-16-11-5-3-10(4-6-11)13-12(15)17-9-7-14/h3-6,14H,2,7-9H2,1H3,(H,13,15).
What are the key properties of 2-hydroxyethyl N-(4-propoxyphenyl)carbamate?
2-hydroxyethyl N-(4-propoxyphenyl)carbamate has a molecular weight of 239.27 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-(4-propoxyphenyl)carbamate is sourced from PubChem (CID 79348792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).