N-(4-acetamido-2,5-diethoxyphenyl)oxolane-2-carboxamide

C17H24N2O5 — CID 648903

IUPACN-(4-acetamido-2,5-diethoxyphenyl)oxolane-2-carboxamide
SMILESCCOc1cc(NC(=O)C2CCCO2)c(OCC)cc1NC(C)=O
InChIInChI=1S/C17H24N2O5/c1-4-22-15-10-13(19-17(21)14-7-6-8-24-14)16(23-5-2)9-12(15)18-11(3)20/h9-10,14H,4-8H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyJBBYMJNASYFMNF-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.56
Rot. Bonds7

About N-(4-acetamido-2,5-diethoxyphenyl)oxolane-2-carboxamide

N-(4-acetamido-2,5-diethoxyphenyl)oxolane-2-carboxamide (PubChem CID 648903) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-(4-acetamido-2,5-diethoxyphenyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetamido-2,5-diethoxyphenyl)oxolane-2-carboxamide
PubChem CID648903
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC NameN-(4-acetamido-2,5-diethoxyphenyl)oxolane-2-carboxamide
SMILESCCOc1cc(NC(=O)C2CCCO2)c(OCC)cc1NC(C)=O
InChIInChI=1S/C17H24N2O5/c1-4-22-15-10-13(19-17(21)14-7-6-8-24-14)16(23-5-2)9-12(15)18-11(3)20/h9-10,14H,4-8H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyJBBYMJNASYFMNF-UHFFFAOYSA-N
XLogP2.56
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-Dimethoxyphenyl)acetamide
CID 77015
2',5'-Dimethoxyacetoacetanilide
CID 80777
2-(4-bromophenoxy)-N-(2,5-dimethoxyphenyl)propanamide
CID 2954018
N-(3,4-dimethoxyphenyl)oxolane-2-carboxamide
CID 2970691
2-chloro-N-[4-[(2-chloroacetyl)amino]-2,5-diethoxyphenyl]acetamide
CID 796173
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,2-dimethylpropanamide
CID 1241231
[2-(2,5-Dimethoxyanilino)-2-oxoethyl] cyclobutanecarboxylate
CID 2120008
N-(3-methoxyphenyl)oxolane-2-carboxamide
CID 2932836
N-(2,5-dimethoxyphenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetamide
CID 20881633
N-(2,5-dimethoxyphenyl)-2-methoxyacetamide
CID 532085
N-(2,5-Dimethoxyphenyl)-2-furancarboxamide
CID 531896
N-(2,5-Dimethoxyphenyl)butanamide
CID 306871

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-2,5-diethoxyphenyl)oxolane-2-carboxamide?
The IUPAC name of N-(4-acetamido-2,5-diethoxyphenyl)oxolane-2-carboxamide (CID 648903) is N-(4-acetamido-2,5-diethoxyphenyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(4-acetamido-2,5-diethoxyphenyl)oxolane-2-carboxamide?
The canonical SMILES for N-(4-acetamido-2,5-diethoxyphenyl)oxolane-2-carboxamide is CCOc1cc(NC(=O)C2CCCO2)c(OCC)cc1NC(C)=O.
What is the InChIKey of N-(4-acetamido-2,5-diethoxyphenyl)oxolane-2-carboxamide?
The InChIKey is JBBYMJNASYFMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-4-22-15-10-13(19-17(21)14-7-6-8-24-14)16(23-5-2)9-12(15)18-11(3)20/h9-10,14H,4-8H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N-(4-acetamido-2,5-diethoxyphenyl)oxolane-2-carboxamide?
N-(4-acetamido-2,5-diethoxyphenyl)oxolane-2-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-2,5-diethoxyphenyl)oxolane-2-carboxamide is sourced from PubChem (CID 648903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).