N-[4-(1,3-dioxolan-2-yl)-3-(2-hydroxyethyl)phenyl]acetamide

C13H17NO4 — CID 158382939

IUPACN-[4-(1,3-dioxolan-2-yl)-3-(2-hydroxyethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2OCCO2)c(CCO)c1
InChIInChI=1S/C13H17NO4/c1-9(16)14-11-2-3-12(10(8-11)4-5-15)13-17-6-7-18-13/h2-3,8,13,15H,4-7H2,1H3,(H,14,16)
InChIKeyGWADIUZLRPNSEV-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.23
Rot. Bonds4

About N-[4-(1,3-dioxolan-2-yl)-3-(2-hydroxyethyl)phenyl]acetamide

N-[4-(1,3-dioxolan-2-yl)-3-(2-hydroxyethyl)phenyl]acetamide (PubChem CID 158382939) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is N-[4-(1,3-dioxolan-2-yl)-3-(2-hydroxyethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(1,3-dioxolan-2-yl)-3-(2-hydroxyethyl)phenyl]acetamide
PubChem CID158382939
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC NameN-[4-(1,3-dioxolan-2-yl)-3-(2-hydroxyethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2OCCO2)c(CCO)c1
InChIInChI=1S/C13H17NO4/c1-9(16)14-11-2-3-12(10(8-11)4-5-15)13-17-6-7-18-13/h2-3,8,13,15H,4-7H2,1H3,(H,14,16)
InChIKeyGWADIUZLRPNSEV-UHFFFAOYSA-N
XLogP1.23
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1,3-dioxolan-2-yl)-3-methylphenyl]acetamide
CID 163853434
N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 3295905
N-(4-ethyl-3,4-dihydro-2H-chromen-7-yl)acetamide
CID 22218129
N-(11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-4-yl)acetamide
CID 171129746
N-[4-(1,3-dioxolan-2-yl)phenyl]-3-oxobutanamide
CID 106912038
N-[3-hydroxy-4-(hydroxymethyl)phenyl]acetamide
CID 162349141
N-[3-(hydroxymethyl)-4-methoxyphenyl]acetamide
CID 82469130
N-[3-(cyclopropylmethoxy)-4-(hydroxymethyl)phenyl]acetamide
CID 141315401
1-[3-(1,3-dioxolan-2-yl)phenyl]-3-methylurea
CID 13101482
2-(5-acetamido-2-phenylphenyl)acetic acid
CID 11708801
N-[(4R)-4-amino-3,4-dihydro-1H-isochromen-7-yl]acetamide
CID 131380829
N-[4-acetamido-3-(3-chloropropyl)phenyl]acetamide
CID 138505346

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-dioxolan-2-yl)-3-(2-hydroxyethyl)phenyl]acetamide?
The IUPAC name of N-[4-(1,3-dioxolan-2-yl)-3-(2-hydroxyethyl)phenyl]acetamide (CID 158382939) is N-[4-(1,3-dioxolan-2-yl)-3-(2-hydroxyethyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(1,3-dioxolan-2-yl)-3-(2-hydroxyethyl)phenyl]acetamide?
The canonical SMILES for N-[4-(1,3-dioxolan-2-yl)-3-(2-hydroxyethyl)phenyl]acetamide is CC(=O)Nc1ccc(C2OCCO2)c(CCO)c1.
What is the InChIKey of N-[4-(1,3-dioxolan-2-yl)-3-(2-hydroxyethyl)phenyl]acetamide?
The InChIKey is GWADIUZLRPNSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-9(16)14-11-2-3-12(10(8-11)4-5-15)13-17-6-7-18-13/h2-3,8,13,15H,4-7H2,1H3,(H,14,16).
What are the key properties of N-[4-(1,3-dioxolan-2-yl)-3-(2-hydroxyethyl)phenyl]acetamide?
N-[4-(1,3-dioxolan-2-yl)-3-(2-hydroxyethyl)phenyl]acetamide has a molecular weight of 251.28 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-dioxolan-2-yl)-3-(2-hydroxyethyl)phenyl]acetamide is sourced from PubChem (CID 158382939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).