N-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]oxolane-2-carboxamide

C17H23N3O4 — CID 113000271

IUPACN-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]oxolane-2-carboxamide
SMILESO=C(CNC(=O)C1CCCO1)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C17H23N3O4/c21-16(12-18-17(22)15-6-3-9-24-15)19-13-4-1-2-5-14(13)20-7-10-23-11-8-20/h1-2,4-5,15H,3,6-12H2,(H,18,22)(H,19,21)
InChIKeyYSVYJUKULFWSAT-UHFFFAOYSA-N
MW333.39 g/mol
LogP0.76
Rot. Bonds5

About N-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]oxolane-2-carboxamide

N-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]oxolane-2-carboxamide (PubChem CID 113000271) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]oxolane-2-carboxamide
PubChem CID113000271
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC NameN-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]oxolane-2-carboxamide
SMILESO=C(CNC(=O)C1CCCO1)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C17H23N3O4/c21-16(12-18-17(22)15-6-3-9-24-15)19-13-4-1-2-5-14(13)20-7-10-23-11-8-20/h1-2,4-5,15H,3,6-12H2,(H,18,22)(H,19,21)
InChIKeyYSVYJUKULFWSAT-UHFFFAOYSA-N
XLogP0.76
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(2-morpholin-4-ylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 55542414
N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]oxolane-2-carboxamide
CID 112997084
N-(2-morpholin-4-ylphenyl)-2-(propan-2-ylcarbamoylamino)acetamide
CID 113000312
N-(2-morpholin-4-ylphenyl)-2-(oxan-2-yl)acetamide
CID 110425335
N-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]oxolane-2-carboxamide
CID 84580144
2-bromo-N-(2-morpholin-4-ylphenyl)acetamide
CID 60650852
N-[2-(azepan-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 3226886
2-(2-fluorophenyl)-N-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]acetamide
CID 113000301
N-[2-(2,4-difluoroanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 113000825
N-(2-morpholin-4-ylphenyl)-3-oxobutanamide
CID 18071535
2-(2,6-dimethylanilino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 109007545
2-(2-bromoanilino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 109010619

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]oxolane-2-carboxamide (CID 113000271) is N-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]oxolane-2-carboxamide is O=C(CNC(=O)C1CCCO1)Nc1ccccc1N1CCOCC1.
What is the InChIKey of N-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]oxolane-2-carboxamide?
The InChIKey is YSVYJUKULFWSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c21-16(12-18-17(22)15-6-3-9-24-15)19-13-4-1-2-5-14(13)20-7-10-23-11-8-20/h1-2,4-5,15H,3,6-12H2,(H,18,22)(H,19,21).
What are the key properties of N-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]oxolane-2-carboxamide?
N-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]oxolane-2-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]oxolane-2-carboxamide is sourced from PubChem (CID 113000271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).