benzene-1,3-diol;ethyl N,N-dipropylcarbamate

C15H25NO4 — CID 70629158

IUPACbenzene-1,3-diol;ethyl N,N-dipropylcarbamate
SMILESCCCN(CCC)C(=O)OCC.Oc1cccc(O)c1
InChIInChI=1S/C9H19NO2.C6H6O2/c1-4-7-10(8-5-2)9(11)12-6-3;7-5-2-1-3-6(8)4-5/h4-8H2,1-3H3;1-4,7-8H
InChIKeyJVXMAIIMQSFJGT-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.36
Rot. Bonds5

About benzene-1,3-diol;ethyl N,N-dipropylcarbamate

benzene-1,3-diol;ethyl N,N-dipropylcarbamate (PubChem CID 70629158) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is benzene-1,3-diol;ethyl N,N-dipropylcarbamate.

Molecular Properties

Compound Namebenzene-1,3-diol;ethyl N,N-dipropylcarbamate
PubChem CID70629158
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Namebenzene-1,3-diol;ethyl N,N-dipropylcarbamate
SMILESCCCN(CCC)C(=O)OCC.Oc1cccc(O)c1
InChIInChI=1S/C9H19NO2.C6H6O2/c1-4-7-10(8-5-2)9(11)12-6-3;7-5-2-1-3-6(8)4-5/h4-8H2,1-3H3;1-4,7-8H
InChIKeyJVXMAIIMQSFJGT-UHFFFAOYSA-N
XLogP3.36
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze benzene-1,3-diol;ethyl N,N-dipropylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzene-1,3-diol;ethyl N,N-didecylcarbamate
CID 70629401
benzene-1,3-diol;ethyl N,N-di(tridecyl)carbamate
CID 70629730
benzene-1,3-diol;ethyl acetate
CID 175540003
ethyl N-[(3-aminophenyl)methyl]-N-propylcarbamate
CID 43459708
benzyl N-(2-phenylethyl)-N-propylcarbamate
CID 141214561
ethyl N-[(4-aminophenyl)methyl]-N-propylcarbamate
CID 43459532
benzyl N-ethyl-N-propylcarbamate
CID 126656974
3-hydroxy-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60655677
2-phenylethyl N,N-dipropylcarbamate
CID 11096967
ethyl (2S)-2-amino-3-(3-hydroxyphenyl)propanoate
CID 54017853
ethyl 3-(3-hydroxyphenyl)-2-methylbutanoate
CID 71083668
ethyl N,N-didodecylcarbamate
CID 70629624

Frequently Asked Questions

What is the IUPAC name of benzene-1,3-diol;ethyl N,N-dipropylcarbamate?
The IUPAC name of benzene-1,3-diol;ethyl N,N-dipropylcarbamate (CID 70629158) is benzene-1,3-diol;ethyl N,N-dipropylcarbamate.
What is the SMILES notation for benzene-1,3-diol;ethyl N,N-dipropylcarbamate?
The canonical SMILES for benzene-1,3-diol;ethyl N,N-dipropylcarbamate is CCCN(CCC)C(=O)OCC.Oc1cccc(O)c1.
What is the InChIKey of benzene-1,3-diol;ethyl N,N-dipropylcarbamate?
The InChIKey is JVXMAIIMQSFJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2.C6H6O2/c1-4-7-10(8-5-2)9(11)12-6-3;7-5-2-1-3-6(8)4-5/h4-8H2,1-3H3;1-4,7-8H.
What are the key properties of benzene-1,3-diol;ethyl N,N-dipropylcarbamate?
benzene-1,3-diol;ethyl N,N-dipropylcarbamate has a molecular weight of 283.37 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,3-diol;ethyl N,N-dipropylcarbamate is sourced from PubChem (CID 70629158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).