2-hydroxyethyl N-(3,4-dipropoxyphenyl)carbamate

C15H23NO5 — CID 79342252

IUPAC2-hydroxyethyl N-(3,4-dipropoxyphenyl)carbamate
SMILESCCCOc1ccc(NC(=O)OCCO)cc1OCCC
InChIInChI=1S/C15H23NO5/c1-3-8-19-13-6-5-12(11-14(13)20-9-4-2)16-15(18)21-10-7-17/h5-6,11,17H,3-4,7-10H2,1-2H3,(H,16,18)
InChIKeyAIPUXEOXMLUPNV-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.81
Rot. Bonds9

About 2-hydroxyethyl N-(3,4-dipropoxyphenyl)carbamate

2-hydroxyethyl N-(3,4-dipropoxyphenyl)carbamate (PubChem CID 79342252) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-hydroxyethyl N-(3,4-dipropoxyphenyl)carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-(3,4-dipropoxyphenyl)carbamate
PubChem CID79342252
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC Name2-hydroxyethyl N-(3,4-dipropoxyphenyl)carbamate
SMILESCCCOc1ccc(NC(=O)OCCO)cc1OCCC
InChIInChI=1S/C15H23NO5/c1-3-8-19-13-6-5-12(11-14(13)20-9-4-2)16-15(18)21-10-7-17/h5-6,11,17H,3-4,7-10H2,1-2H3,(H,16,18)
InChIKeyAIPUXEOXMLUPNV-UHFFFAOYSA-N
XLogP2.81
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxyethyl N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]carbamate
CID 79346534
2-hydroxyethyl N-(4-propoxyphenyl)carbamate
CID 79348792
2-amino-N-(3,4-dipropoxyphenyl)-2-methylpropanamide;hydrochloride
CID 119265988
4-amino-N-(3,4-dipropoxyphenyl)pentanamide
CID 120558926
(2S)-2-amino-N-(3,4-dipropoxyphenyl)-3-methylbutanamide;hydrochloride
CID 119266014
[2-[(3,4-dipropoxyphenyl)carbamoylamino]-2-oxoethyl] propanoate
CID 7851101
N-(3,4-dipropoxyphenyl)-3,5-dimethylbenzamide
CID 7924147
4-(aminomethyl)-N-(3,4-dipropoxyphenyl)benzamide
CID 119265999
2-hydroxyethyl N-[4-(propanoylamino)phenyl]carbamate
CID 79346307
N-(3,4-dipropoxyphenyl)cyclobutanecarboxamide
CID 78779732
3-amino-N-(3,4-dipropoxyphenyl)benzamide
CID 119679445
5-acetyl-N-(3,4-dipropoxyphenyl)thiophene-2-carboxamide
CID 9088020

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-(3,4-dipropoxyphenyl)carbamate?
The IUPAC name of 2-hydroxyethyl N-(3,4-dipropoxyphenyl)carbamate (CID 79342252) is 2-hydroxyethyl N-(3,4-dipropoxyphenyl)carbamate.
What is the SMILES notation for 2-hydroxyethyl N-(3,4-dipropoxyphenyl)carbamate?
The canonical SMILES for 2-hydroxyethyl N-(3,4-dipropoxyphenyl)carbamate is CCCOc1ccc(NC(=O)OCCO)cc1OCCC.
What is the InChIKey of 2-hydroxyethyl N-(3,4-dipropoxyphenyl)carbamate?
The InChIKey is AIPUXEOXMLUPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5/c1-3-8-19-13-6-5-12(11-14(13)20-9-4-2)16-15(18)21-10-7-17/h5-6,11,17H,3-4,7-10H2,1-2H3,(H,16,18).
What are the key properties of 2-hydroxyethyl N-(3,4-dipropoxyphenyl)carbamate?
2-hydroxyethyl N-(3,4-dipropoxyphenyl)carbamate has a molecular weight of 297.35 g/mol, XLogP of 2.81, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-(3,4-dipropoxyphenyl)carbamate is sourced from PubChem (CID 79342252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).