4-(3-chlorophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]oxane-4-carboxamide

C17H23ClN2O4 — CID 60566039

IUPAC4-(3-chlorophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]oxane-4-carboxamide
SMILESCOCCNC(=O)CNC(=O)C1(c2cccc(Cl)c2)CCOCC1
InChIInChI=1S/C17H23ClN2O4/c1-23-10-7-19-15(21)12-20-16(22)17(5-8-24-9-6-17)13-3-2-4-14(18)11-13/h2-4,11H,5-10,12H2,1H3,(H,19,21)(H,20,22)
InChIKeySQGSHEKVVVDNRY-UHFFFAOYSA-N
MW354.83 g/mol
LogP1.27
Rot. Bonds7

About 4-(3-chlorophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]oxane-4-carboxamide

4-(3-chlorophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]oxane-4-carboxamide (PubChem CID 60566039) has the molecular formula C17H23ClN2O4 and a molecular weight of 354.83 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]oxane-4-carboxamide
PubChem CID60566039
Molecular FormulaC17H23ClN2O4
Molecular Weight354.83 g/mol
Exact Mass354.13
IUPAC Name4-(3-chlorophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]oxane-4-carboxamide
SMILESCOCCNC(=O)CNC(=O)C1(c2cccc(Cl)c2)CCOCC1
InChIInChI=1S/C17H23ClN2O4/c1-23-10-7-19-15(21)12-20-16(22)17(5-8-24-9-6-17)13-3-2-4-14(18)11-13/h2-4,11H,5-10,12H2,1H3,(H,19,21)(H,20,22)
InChIKeySQGSHEKVVVDNRY-UHFFFAOYSA-N
XLogP1.27
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.83
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 51091401
4-[[[4-(3-chlorophenyl)oxane-4-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542936
2-[[N-[[1-(3-chlorophenyl)cyclopropyl]methyl]-N'-methylcarbamimidoyl]amino]-N-(2-methoxyethyl)acetamide
CID 111640262
1-(3-chlorophenyl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]cyclopentane-1-carboxamide
CID 47088064
4-(3-chlorophenyl)-N-[3-(4-fluorophenyl)sulfanylpropyl]oxane-4-carboxamide
CID 55996291
2-(3-chloroanilino)-N-(2-methoxyethyl)acetamide
CID 39347237
N-[(2S)-1-aminopropan-2-yl]-4-(3-chlorophenyl)oxane-4-carboxamide;hydrochloride
CID 120507442
4-(3-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)oxane-4-carboxamide
CID 119537652
N-(2-aminoethyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 110464710
N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-4-(3-fluorophenyl)oxane-4-carboxamide
CID 46979917
N-(2-acetamidoethyl)-1-(3-chlorophenyl)cyclobutane-1-carboxamide
CID 46451340
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-chlorophenyl)oxane-4-carboxamide
CID 119459119

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]oxane-4-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]oxane-4-carboxamide (CID 60566039) is 4-(3-chlorophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]oxane-4-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]oxane-4-carboxamide is COCCNC(=O)CNC(=O)C1(c2cccc(Cl)c2)CCOCC1.
What is the InChIKey of 4-(3-chlorophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]oxane-4-carboxamide?
The InChIKey is SQGSHEKVVVDNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O4/c1-23-10-7-19-15(21)12-20-16(22)17(5-8-24-9-6-17)13-3-2-4-14(18)11-13/h2-4,11H,5-10,12H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 4-(3-chlorophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]oxane-4-carboxamide?
4-(3-chlorophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]oxane-4-carboxamide has a molecular weight of 354.83 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]oxane-4-carboxamide is sourced from PubChem (CID 60566039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).