N-(2,3-dihydroxypropyl)-4-ethoxybenzamide

C12H17NO4 — CID 66176423

IUPACN-(2,3-dihydroxypropyl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(O)CO)cc1
InChIInChI=1S/C12H17NO4/c1-2-17-11-5-3-9(4-6-11)12(16)13-7-10(15)8-14/h3-6,10,14-15H,2,7-8H2,1H3,(H,13,16)
InChIKeyMHQGWQCZBSCUGQ-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.17
Rot. Bonds6

About N-(2,3-dihydroxypropyl)-4-ethoxybenzamide

N-(2,3-dihydroxypropyl)-4-ethoxybenzamide (PubChem CID 66176423) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-4-ethoxybenzamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-4-ethoxybenzamide
PubChem CID66176423
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC NameN-(2,3-dihydroxypropyl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(O)CO)cc1
InChIInChI=1S/C12H17NO4/c1-2-17-11-5-3-9(4-6-11)12(16)13-7-10(15)8-14/h3-6,10,14-15H,2,7-8H2,1H3,(H,13,16)
InChIKeyMHQGWQCZBSCUGQ-UHFFFAOYSA-N
XLogP0.17
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
N-(2-chloro-2-cyclopropylethyl)-4-ethoxybenzamide
CID 113273443
N-(2-bromo-4,4-dimethylpentyl)-4-ethoxybenzamide
CID 107156509
4-ethoxy-N-(2-phenylbutyl)benzamide
CID 17462842
4-ethoxy-N-(4-hydroxypentyl)benzamide
CID 107299822
N-[(2R)-2,3-dihydroxypropyl]-4-(5-ethylpyrimidin-2-yl)benzamide
CID 126454227
4-ethoxy-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzamide
CID 90496212
4-(acetamidomethyl)-N-(2,3-dihydroxypropyl)benzamide
CID 66175163
2-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]propanoic acid
CID 120523615
N-(2,3-dihydroxypropyl)pyridine-4-carboxamide
CID 66176252
N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide
CID 45001600
N-(3-hydroxy-2-methylpropyl)-4-(2-methylpropoxy)benzamide
CID 65032098

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-4-ethoxybenzamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-4-ethoxybenzamide (CID 66176423) is N-(2,3-dihydroxypropyl)-4-ethoxybenzamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-4-ethoxybenzamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-4-ethoxybenzamide is CCOc1ccc(C(=O)NCC(O)CO)cc1.
What is the InChIKey of N-(2,3-dihydroxypropyl)-4-ethoxybenzamide?
The InChIKey is MHQGWQCZBSCUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-2-17-11-5-3-9(4-6-11)12(16)13-7-10(15)8-14/h3-6,10,14-15H,2,7-8H2,1H3,(H,13,16).
What are the key properties of N-(2,3-dihydroxypropyl)-4-ethoxybenzamide?
N-(2,3-dihydroxypropyl)-4-ethoxybenzamide has a molecular weight of 239.27 g/mol, XLogP of 0.17, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-4-ethoxybenzamide is sourced from PubChem (CID 66176423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).