N-(2,3-dihydroxypropyl)-3-(2-methoxyphenyl)propanamide

C13H19NO4 — CID 66175795

IUPACN-(2,3-dihydroxypropyl)-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1CCC(=O)NCC(O)CO
InChIInChI=1S/C13H19NO4/c1-18-12-5-3-2-4-10(12)6-7-13(17)14-8-11(16)9-15/h2-5,11,15-16H,6-9H2,1H3,(H,14,17)
InChIKeyHWBXMTDJCXHNFG-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.10
Rot. Bonds7

About N-(2,3-dihydroxypropyl)-3-(2-methoxyphenyl)propanamide

N-(2,3-dihydroxypropyl)-3-(2-methoxyphenyl)propanamide (PubChem CID 66175795) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-3-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-3-(2-methoxyphenyl)propanamide
PubChem CID66175795
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC NameN-(2,3-dihydroxypropyl)-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1CCC(=O)NCC(O)CO
InChIInChI=1S/C13H19NO4/c1-18-12-5-3-2-4-10(12)6-7-13(17)14-8-11(16)9-15/h2-5,11,15-16H,6-9H2,1H3,(H,14,17)
InChIKeyHWBXMTDJCXHNFG-UHFFFAOYSA-N
XLogP0.10
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-3-(2-methoxyphenyl)propanamide
CID 120652535
3-(2-methoxyphenyl)-N-sulfanylpropanamide
CID 134582208
2-[3-(2-methoxyphenyl)propanoylamino]acetic acid
CID 43091942
3-[[3-(2-methoxyphenyl)propanoylamino]methyl]pentanoic acid
CID 81066007
N-(4-hydroxybutyl)-3-(2-methoxyphenyl)propanamide
CID 106843312
N-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)propanamide
CID 51157212
N-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
CID 40600143
3-(2-ethoxyphenyl)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83029751
3-(2-methoxyphenyl)-N-phenylpropanamide
CID 7732837
N,3-bis(2-methoxyphenyl)propanamide
CID 17394407
N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide
CID 78779677
1-(2-methoxyphenyl)-4-methylpentan-3-one
CID 58133956

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-3-(2-methoxyphenyl)propanamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-3-(2-methoxyphenyl)propanamide (CID 66175795) is N-(2,3-dihydroxypropyl)-3-(2-methoxyphenyl)propanamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-3-(2-methoxyphenyl)propanamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-3-(2-methoxyphenyl)propanamide is COc1ccccc1CCC(=O)NCC(O)CO.
What is the InChIKey of N-(2,3-dihydroxypropyl)-3-(2-methoxyphenyl)propanamide?
The InChIKey is HWBXMTDJCXHNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-18-12-5-3-2-4-10(12)6-7-13(17)14-8-11(16)9-15/h2-5,11,15-16H,6-9H2,1H3,(H,14,17).
What are the key properties of N-(2,3-dihydroxypropyl)-3-(2-methoxyphenyl)propanamide?
N-(2,3-dihydroxypropyl)-3-(2-methoxyphenyl)propanamide has a molecular weight of 253.30 g/mol, XLogP of 0.10, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-3-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 66175795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).