N-[3-(3-acetyl-4-aminophenyl)-2,3-dihydroxypropyl]acetamide

C13H18N2O4 — CID 170830543

IUPACN-[3-(3-acetyl-4-aminophenyl)-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1ccc(N)c(C(C)=O)c1
InChIInChI=1S/C13H18N2O4/c1-7(16)10-5-9(3-4-11(10)14)13(19)12(18)6-15-8(2)17/h3-5,12-13,18-19H,6,14H2,1-2H3,(H,15,17)
InChIKeyCYZAWMIUFNXPHU-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.00
Rot. Bonds5

About N-[3-(3-acetyl-4-aminophenyl)-2,3-dihydroxypropyl]acetamide

N-[3-(3-acetyl-4-aminophenyl)-2,3-dihydroxypropyl]acetamide (PubChem CID 170830543) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[3-(3-acetyl-4-aminophenyl)-2,3-dihydroxypropyl]acetamide.

Molecular Properties

Compound NameN-[3-(3-acetyl-4-aminophenyl)-2,3-dihydroxypropyl]acetamide
PubChem CID170830543
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC NameN-[3-(3-acetyl-4-aminophenyl)-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1ccc(N)c(C(C)=O)c1
InChIInChI=1S/C13H18N2O4/c1-7(16)10-5-9(3-4-11(10)14)13(19)12(18)6-15-8(2)17/h3-5,12-13,18-19H,6,14H2,1-2H3,(H,15,17)
InChIKeyCYZAWMIUFNXPHU-UHFFFAOYSA-N
XLogP0.00
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[2-amino-5-(3-chloro-1,2-dihydroxypropyl)phenyl]ethanone
CID 171862518
N-[3-(4-amino-3-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830189
N-[3-(4-aminophenyl)-2,3-dihydroxypropyl]acetamide
CID 170829554
N-[3-(3-bromo-4-methylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170831130
S-[4-(3-acetyl-4-aminophenyl)-3,4-dihydroxybutyl] ethanethioate
CID 171876369
N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,3-dihydroxypropyl]acetamide
CID 170829578
1-[2-amino-5-(4-azido-1,2-dihydroxybutyl)phenyl]ethanone
CID 171879950
N-[3-(4-chlorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170829480
N-[3-(3-fluoro-4-hydrazinylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830022
N-[3-[4-(hydrazinecarbonyl)phenyl]-2,3-dihydroxypropyl]acetamide
CID 170830453
4-(3-acetamido-1,2-dihydroxypropyl)benzoic acid
CID 170829918
N-[3-(3-cyano-4-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830168

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-acetyl-4-aminophenyl)-2,3-dihydroxypropyl]acetamide?
The IUPAC name of N-[3-(3-acetyl-4-aminophenyl)-2,3-dihydroxypropyl]acetamide (CID 170830543) is N-[3-(3-acetyl-4-aminophenyl)-2,3-dihydroxypropyl]acetamide.
What is the SMILES notation for N-[3-(3-acetyl-4-aminophenyl)-2,3-dihydroxypropyl]acetamide?
The canonical SMILES for N-[3-(3-acetyl-4-aminophenyl)-2,3-dihydroxypropyl]acetamide is CC(=O)NCC(O)C(O)c1ccc(N)c(C(C)=O)c1.
What is the InChIKey of N-[3-(3-acetyl-4-aminophenyl)-2,3-dihydroxypropyl]acetamide?
The InChIKey is CYZAWMIUFNXPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-7(16)10-5-9(3-4-11(10)14)13(19)12(18)6-15-8(2)17/h3-5,12-13,18-19H,6,14H2,1-2H3,(H,15,17).
What are the key properties of N-[3-(3-acetyl-4-aminophenyl)-2,3-dihydroxypropyl]acetamide?
N-[3-(3-acetyl-4-aminophenyl)-2,3-dihydroxypropyl]acetamide has a molecular weight of 266.30 g/mol, XLogP of 0.00, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-acetyl-4-aminophenyl)-2,3-dihydroxypropyl]acetamide is sourced from PubChem (CID 170830543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).