N-[3-(5-acetyl-2-methoxyphenyl)-2,3-dihydroxypropyl]acetamide

C14H19NO5 — CID 170830619

IUPACN-[3-(5-acetyl-2-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
SMILESCOc1ccc(C(C)=O)cc1C(O)C(O)CNC(C)=O
InChIInChI=1S/C14H19NO5/c1-8(16)10-4-5-13(20-3)11(6-10)14(19)12(18)7-15-9(2)17/h4-6,12,14,18-19H,7H2,1-3H3,(H,15,17)
InChIKeyFNZZFLMLFAYZFJ-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.43
Rot. Bonds6

About N-[3-(5-acetyl-2-methoxyphenyl)-2,3-dihydroxypropyl]acetamide

N-[3-(5-acetyl-2-methoxyphenyl)-2,3-dihydroxypropyl]acetamide (PubChem CID 170830619) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-[3-(5-acetyl-2-methoxyphenyl)-2,3-dihydroxypropyl]acetamide.

Molecular Properties

Compound NameN-[3-(5-acetyl-2-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
PubChem CID170830619
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC NameN-[3-(5-acetyl-2-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
SMILESCOc1ccc(C(C)=O)cc1C(O)C(O)CNC(C)=O
InChIInChI=1S/C14H19NO5/c1-8(16)10-4-5-13(20-3)11(6-10)14(19)12(18)7-15-9(2)17/h4-6,12,14,18-19H,7H2,1-3H3,(H,15,17)
InChIKeyFNZZFLMLFAYZFJ-UHFFFAOYSA-N
XLogP0.43
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2,3-dihydroxy-3-[2-methoxy-5-(trifluoromethyl)phenyl]propyl]acetamide
CID 170831338
1-[3-(1,2-dihydroxy-4-sulfanylbutyl)-4-methoxyphenyl]ethanone
CID 171874653
3-(5-acetyl-2-methoxyphenyl)-2,3-dihydroxypropanoic acid
CID 170824518
N-[2,3-dihydroxy-3-(4-methoxynaphthalen-1-yl)propyl]acetamide
CID 170830867
1-[3-(3-azido-1,2-dihydroxypropyl)-4-methoxyphenyl]ethanone
CID 170826582
N-[3-(2-bromo-4,5-dimethoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170831307
N-[2,3-dihydroxy-3-(4-methoxy-2,5-dimethylphenyl)propyl]acetamide
CID 170830397
N-[3-(4-amino-2-fluoro-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830542
N-[3-(2-fluoro-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170829935
N-[3-(2-amino-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830174
methyl 3-(4-amino-1,2-dihydroxy-4-oxobutyl)-4-methoxybenzoate
CID 171900062
N-[3-(4-amino-3-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830189

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-acetyl-2-methoxyphenyl)-2,3-dihydroxypropyl]acetamide?
The IUPAC name of N-[3-(5-acetyl-2-methoxyphenyl)-2,3-dihydroxypropyl]acetamide (CID 170830619) is N-[3-(5-acetyl-2-methoxyphenyl)-2,3-dihydroxypropyl]acetamide.
What is the SMILES notation for N-[3-(5-acetyl-2-methoxyphenyl)-2,3-dihydroxypropyl]acetamide?
The canonical SMILES for N-[3-(5-acetyl-2-methoxyphenyl)-2,3-dihydroxypropyl]acetamide is COc1ccc(C(C)=O)cc1C(O)C(O)CNC(C)=O.
What is the InChIKey of N-[3-(5-acetyl-2-methoxyphenyl)-2,3-dihydroxypropyl]acetamide?
The InChIKey is FNZZFLMLFAYZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-8(16)10-4-5-13(20-3)11(6-10)14(19)12(18)7-15-9(2)17/h4-6,12,14,18-19H,7H2,1-3H3,(H,15,17).
What are the key properties of N-[3-(5-acetyl-2-methoxyphenyl)-2,3-dihydroxypropyl]acetamide?
N-[3-(5-acetyl-2-methoxyphenyl)-2,3-dihydroxypropyl]acetamide has a molecular weight of 281.31 g/mol, XLogP of 0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-acetyl-2-methoxyphenyl)-2,3-dihydroxypropyl]acetamide is sourced from PubChem (CID 170830619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).