ethyl 3-(dipropylcarbamoyl)-5-(hydroxymethyl)benzoate

C17H25NO4 — CID 21086103

IUPACethyl 3-(dipropylcarbamoyl)-5-(hydroxymethyl)benzoate
SMILESCCCN(CCC)C(=O)c1cc(CO)cc(C(=O)OCC)c1
InChIInChI=1S/C17H25NO4/c1-4-7-18(8-5-2)16(20)14-9-13(12-19)10-15(11-14)17(21)22-6-3/h9-11,19H,4-8,12H2,1-3H3
InChIKeyRYJSUPFDQHFNTC-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.62
Rot. Bonds8

About ethyl 3-(dipropylcarbamoyl)-5-(hydroxymethyl)benzoate

ethyl 3-(dipropylcarbamoyl)-5-(hydroxymethyl)benzoate (PubChem CID 21086103) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is ethyl 3-(dipropylcarbamoyl)-5-(hydroxymethyl)benzoate.

Molecular Properties

Compound Nameethyl 3-(dipropylcarbamoyl)-5-(hydroxymethyl)benzoate
PubChem CID21086103
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Nameethyl 3-(dipropylcarbamoyl)-5-(hydroxymethyl)benzoate
SMILESCCCN(CCC)C(=O)c1cc(CO)cc(C(=O)OCC)c1
InChIInChI=1S/C17H25NO4/c1-4-7-18(8-5-2)16(20)14-9-13(12-19)10-15(11-14)17(21)22-6-3/h9-11,19H,4-8,12H2,1-3H3
InChIKeyRYJSUPFDQHFNTC-UHFFFAOYSA-N
XLogP2.62
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 3-(dipropylcarbamoyl)-5-(hydroxymethyl)benzoate 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

ethyl 3-(methoxymethyl)-5-[methyl(propyl)carbamoyl]benzoate
CID 68814471
ethyl 3-(3-bromopropyl)-5-(hydroxymethyl)benzoate
CID 134641156
diethyl 5-[[3-[[3,5-bis(ethoxycarbonyl)phenyl]methoxy]-5-(hydroxymethyl)phenoxy]methyl]benzene-1,3-dicarboxylate
CID 23255595
ethane;3-ethyl-5-methoxy-N,N-dipropylbenzamide
CID 142843916
propyl 3-(dipropylcarbamoyl)benzoate
CID 90989239
N-butyl-3,5-dimethyl-N-propylbenzamide
CID 142843547
N-butyl-3,5-dimethyl-N-propylbenzamide;ethane
CID 142843546
N-(2-hydroxyethyl)-4-(hydroxymethyl)-N-propylbenzamide
CID 61425097
ethyl 3-(2,2-difluoroethenyl)-5-[methyl(propyl)carbamoyl]benzoate
CID 68814519
ethyl 3,5-bis(aminomethyl)benzoate
CID 174906778
ethyl 3-(cyanomethyl)-5-(dimethylcarbamoyl)benzoate
CID 58966763
diethyl 5-(ethylperoxymethyl)benzene-1,3-dicarboxylate
CID 59899867

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(dipropylcarbamoyl)-5-(hydroxymethyl)benzoate?
The IUPAC name of ethyl 3-(dipropylcarbamoyl)-5-(hydroxymethyl)benzoate (CID 21086103) is ethyl 3-(dipropylcarbamoyl)-5-(hydroxymethyl)benzoate.
What is the SMILES notation for ethyl 3-(dipropylcarbamoyl)-5-(hydroxymethyl)benzoate?
The canonical SMILES for ethyl 3-(dipropylcarbamoyl)-5-(hydroxymethyl)benzoate is CCCN(CCC)C(=O)c1cc(CO)cc(C(=O)OCC)c1.
What is the InChIKey of ethyl 3-(dipropylcarbamoyl)-5-(hydroxymethyl)benzoate?
The InChIKey is RYJSUPFDQHFNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-4-7-18(8-5-2)16(20)14-9-13(12-19)10-15(11-14)17(21)22-6-3/h9-11,19H,4-8,12H2,1-3H3.
What are the key properties of ethyl 3-(dipropylcarbamoyl)-5-(hydroxymethyl)benzoate?
ethyl 3-(dipropylcarbamoyl)-5-(hydroxymethyl)benzoate has a molecular weight of 307.39 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(dipropylcarbamoyl)-5-(hydroxymethyl)benzoate is sourced from PubChem (CID 21086103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).