N-[3-(4-cyano-3-methoxyphenyl)-2,3-dihydroxypropyl]acetamide

C13H16N2O4 — CID 170830549

IUPACN-[3-(4-cyano-3-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
SMILESCOc1cc(C(O)C(O)CNC(C)=O)ccc1C#N
InChIInChI=1S/C13H16N2O4/c1-8(16)15-7-11(17)13(18)9-3-4-10(6-14)12(5-9)19-2/h3-5,11,13,17-18H,7H2,1-2H3,(H,15,16)
InChIKeyFPWYZGFMWCNZGE-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.10
Rot. Bonds5

About N-[3-(4-cyano-3-methoxyphenyl)-2,3-dihydroxypropyl]acetamide

N-[3-(4-cyano-3-methoxyphenyl)-2,3-dihydroxypropyl]acetamide (PubChem CID 170830549) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is N-[3-(4-cyano-3-methoxyphenyl)-2,3-dihydroxypropyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-cyano-3-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
PubChem CID170830549
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC NameN-[3-(4-cyano-3-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
SMILESCOc1cc(C(O)C(O)CNC(C)=O)ccc1C#N
InChIInChI=1S/C13H16N2O4/c1-8(16)15-7-11(17)13(18)9-3-4-10(6-14)12(5-9)19-2/h3-5,11,13,17-18H,7H2,1-2H3,(H,15,16)
InChIKeyFPWYZGFMWCNZGE-UHFFFAOYSA-N
XLogP0.10
TPSA102.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[3-(4-cyano-3-methoxyphenyl)-2,3-dihydroxypropyl]acetamide 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

N-[3-(3-cyano-4-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830168
N-[3-(4-amino-3-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830189
4-(3-cyano-4-methoxyphenyl)-3,4-dihydroxybutanamide
CID 171899660
benzyl N-[4-(4-cyano-3-methoxyphenyl)-3,4-dihydroxybutyl]carbamate
CID 171888916
4-(4-azido-1,2-dihydroxybutyl)-2-methoxybenzonitrile
CID 171879956
N-[3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170831371
5-(4-amino-1,2-dihydroxybutyl)-2-methoxybenzonitrile
CID 171881743
N-[3-(5-acetyl-2-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830619
4-(3-acetamido-1,2-dihydroxypropyl)benzoic acid
CID 170829918
N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,3-dihydroxypropyl]acetamide
CID 170829578
N-[3-(4-aminophenyl)-2,3-dihydroxypropyl]acetamide
CID 170829554
2-methoxy-4-propan-2-ylbenzonitrile
CID 82490541

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-cyano-3-methoxyphenyl)-2,3-dihydroxypropyl]acetamide?
The IUPAC name of N-[3-(4-cyano-3-methoxyphenyl)-2,3-dihydroxypropyl]acetamide (CID 170830549) is N-[3-(4-cyano-3-methoxyphenyl)-2,3-dihydroxypropyl]acetamide.
What is the SMILES notation for N-[3-(4-cyano-3-methoxyphenyl)-2,3-dihydroxypropyl]acetamide?
The canonical SMILES for N-[3-(4-cyano-3-methoxyphenyl)-2,3-dihydroxypropyl]acetamide is COc1cc(C(O)C(O)CNC(C)=O)ccc1C#N.
What is the InChIKey of N-[3-(4-cyano-3-methoxyphenyl)-2,3-dihydroxypropyl]acetamide?
The InChIKey is FPWYZGFMWCNZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-8(16)15-7-11(17)13(18)9-3-4-10(6-14)12(5-9)19-2/h3-5,11,13,17-18H,7H2,1-2H3,(H,15,16).
What are the key properties of N-[3-(4-cyano-3-methoxyphenyl)-2,3-dihydroxypropyl]acetamide?
N-[3-(4-cyano-3-methoxyphenyl)-2,3-dihydroxypropyl]acetamide has a molecular weight of 264.28 g/mol, XLogP of 0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-cyano-3-methoxyphenyl)-2,3-dihydroxypropyl]acetamide is sourced from PubChem (CID 170830549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).