N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]oxane-4-carboxamide

C17H24N2O4 — CID 30839706

IUPACN-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]oxane-4-carboxamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)C(=O)C1CCOCC1
InChIInChI=1S/C17H24N2O4/c1-3-19(17(21)13-7-9-23-10-8-13)12-16(20)18-14-5-4-6-15(11-14)22-2/h4-6,11,13H,3,7-10,12H2,1-2H3,(H,18,20)
InChIKeyZQFVNSOBGBJQEX-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.91
Rot. Bonds6

About N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]oxane-4-carboxamide

N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]oxane-4-carboxamide (PubChem CID 30839706) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]oxane-4-carboxamide
PubChem CID30839706
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC NameN-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]oxane-4-carboxamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)C(=O)C1CCOCC1
InChIInChI=1S/C17H24N2O4/c1-3-19(17(21)13-7-9-23-10-8-13)12-16(20)18-14-5-4-6-15(11-14)22-2/h4-6,11,13H,3,7-10,12H2,1-2H3,(H,18,20)
InChIKeyZQFVNSOBGBJQEX-UHFFFAOYSA-N
XLogP1.91
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783733
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-9H-xanthene-9-carboxamide
CID 40609025
3-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119729065
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]propanamide
CID 43011197
1-cyclopentyl-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 55359330
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride
CID 119292397
(2S)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride
CID 119729072
1-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 119729055
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 43011201
1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-(oxan-4-yl)urea
CID 90607143
N-cyclopropyl-2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 34434295
2-[ethyl-(2-phenoxyacetyl)amino]-N-(3-methoxyphenyl)acetamide
CID 9094787

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]oxane-4-carboxamide?
The IUPAC name of N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]oxane-4-carboxamide (CID 30839706) is N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]oxane-4-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]oxane-4-carboxamide?
The canonical SMILES for N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]oxane-4-carboxamide is CCN(CC(=O)Nc1cccc(OC)c1)C(=O)C1CCOCC1.
What is the InChIKey of N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]oxane-4-carboxamide?
The InChIKey is ZQFVNSOBGBJQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-3-19(17(21)13-7-9-23-10-8-13)12-16(20)18-14-5-4-6-15(11-14)22-2/h4-6,11,13H,3,7-10,12H2,1-2H3,(H,18,20).
What are the key properties of N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]oxane-4-carboxamide?
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]oxane-4-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]oxane-4-carboxamide is sourced from PubChem (CID 30839706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).