N-[2-(N-acetyl-2,3-dimethylanilino)ethyl]oxolane-2-carboxamide

C17H24N2O3 — CID 113058185

IUPACN-[2-(N-acetyl-2,3-dimethylanilino)ethyl]oxolane-2-carboxamide
SMILESCC(=O)N(CCNC(=O)C1CCCO1)c1cccc(C)c1C
InChIInChI=1S/C17H24N2O3/c1-12-6-4-7-15(13(12)2)19(14(3)20)10-9-18-17(21)16-8-5-11-22-16/h4,6-7,16H,5,8-11H2,1-3H3,(H,18,21)
InChIKeyVKWXDEPXODPEKH-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.95
Rot. Bonds5

About N-[2-(N-acetyl-2,3-dimethylanilino)ethyl]oxolane-2-carboxamide

N-[2-(N-acetyl-2,3-dimethylanilino)ethyl]oxolane-2-carboxamide (PubChem CID 113058185) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[2-(N-acetyl-2,3-dimethylanilino)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-2,3-dimethylanilino)ethyl]oxolane-2-carboxamide
PubChem CID113058185
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-[2-(N-acetyl-2,3-dimethylanilino)ethyl]oxolane-2-carboxamide
SMILESCC(=O)N(CCNC(=O)C1CCCO1)c1cccc(C)c1C
InChIInChI=1S/C17H24N2O3/c1-12-6-4-7-15(13(12)2)19(14(3)20)10-9-18-17(21)16-8-5-11-22-16/h4,6-7,16H,5,8-11H2,1-3H3,(H,18,21)
InChIKeyVKWXDEPXODPEKH-UHFFFAOYSA-N
XLogP1.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(N-acetyl-2-tert-butylanilino)ethyl]oxolane-2-carboxamide
CID 113059012
N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]oxolane-2-carboxamide
CID 113061366
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]oxolane-2-carboxamide
CID 113059887
N-[2-(N-acetylanilino)ethyl]oxolane-2-carboxamide
CID 113057159
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]oxolane-2-carboxamide
CID 113059087
N-[2-(N-acetyl-4-phenoxyanilino)ethyl]oxolane-2-carboxamide
CID 113062539
N-[2-(N-acetyl-2,6-dimethylanilino)ethyl]cyclopropanecarboxamide
CID 113058076
N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]oxolane-2-carboxamide
CID 113055726
N-[2-[[4-[(2,3-dimethylphenyl)carbamoylamino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062728
N-(2,6-dimethylphenyl)oxolane-2-carboxamide
CID 3155119
(2S)-N-[2-(N-methylanilino)ethyl]oxane-2-carboxamide
CID 99576902
N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]oxolane-2-carboxamide
CID 108541523

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-2,3-dimethylanilino)ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-(N-acetyl-2,3-dimethylanilino)ethyl]oxolane-2-carboxamide (CID 113058185) is N-[2-(N-acetyl-2,3-dimethylanilino)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-(N-acetyl-2,3-dimethylanilino)ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-(N-acetyl-2,3-dimethylanilino)ethyl]oxolane-2-carboxamide is CC(=O)N(CCNC(=O)C1CCCO1)c1cccc(C)c1C.
What is the InChIKey of N-[2-(N-acetyl-2,3-dimethylanilino)ethyl]oxolane-2-carboxamide?
The InChIKey is VKWXDEPXODPEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12-6-4-7-15(13(12)2)19(14(3)20)10-9-18-17(21)16-8-5-11-22-16/h4,6-7,16H,5,8-11H2,1-3H3,(H,18,21).
What are the key properties of N-[2-(N-acetyl-2,3-dimethylanilino)ethyl]oxolane-2-carboxamide?
N-[2-(N-acetyl-2,3-dimethylanilino)ethyl]oxolane-2-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-2,3-dimethylanilino)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 113058185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).