N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]oxolane-2-carboxamide

C16H21ClN2O3 — CID 113059887

IUPACN-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]oxolane-2-carboxamide
SMILESCC(=O)N(CCNC(=O)C1CCCO1)c1ccc(Cl)cc1C
InChIInChI=1S/C16H21ClN2O3/c1-11-10-13(17)5-6-14(11)19(12(2)20)8-7-18-16(21)15-4-3-9-22-15/h5-6,10,15H,3-4,7-9H2,1-2H3,(H,18,21)
InChIKeyIAPGYOGXULCFBK-UHFFFAOYSA-N
MW324.81 g/mol
LogP2.30
Rot. Bonds5

About N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]oxolane-2-carboxamide

N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]oxolane-2-carboxamide (PubChem CID 113059887) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]oxolane-2-carboxamide
PubChem CID113059887
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC NameN-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]oxolane-2-carboxamide
SMILESCC(=O)N(CCNC(=O)C1CCCO1)c1ccc(Cl)cc1C
InChIInChI=1S/C16H21ClN2O3/c1-11-10-13(17)5-6-14(11)19(12(2)20)8-7-18-16(21)15-4-3-9-22-15/h5-6,10,15H,3-4,7-9H2,1-2H3,(H,18,21)
InChIKeyIAPGYOGXULCFBK-UHFFFAOYSA-N
XLogP2.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(N-acetyl-2,3-dimethylanilino)ethyl]oxolane-2-carboxamide
CID 113058185
N-[2-(N-acetylanilino)ethyl]oxolane-2-carboxamide
CID 113057159
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]benzamide
CID 113059892
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]oxolane-2-carboxamide
CID 113059087
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]-3,5-dimethoxybenzamide
CID 113059902
ethyl N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]carbamate
CID 113059937
N-[2-(N-acetyl-4-phenoxyanilino)ethyl]oxolane-2-carboxamide
CID 113062539
N-(4-chloro-2-methylphenyl)oxolane-2-carboxamide
CID 42906730
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]thiophene-2-carboxamide
CID 113059891
N-[2-[4-(diethylamino)-2-methyl-N-methylsulfonylanilino]ethyl]oxolane-2-carboxamide
CID 113072115

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]oxolane-2-carboxamide (CID 113059887) is N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]oxolane-2-carboxamide is CC(=O)N(CCNC(=O)C1CCCO1)c1ccc(Cl)cc1C.
What is the InChIKey of N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]oxolane-2-carboxamide?
The InChIKey is IAPGYOGXULCFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c1-11-10-13(17)5-6-14(11)19(12(2)20)8-7-18-16(21)15-4-3-9-22-15/h5-6,10,15H,3-4,7-9H2,1-2H3,(H,18,21).
What are the key properties of N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]oxolane-2-carboxamide?
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]oxolane-2-carboxamide has a molecular weight of 324.81 g/mol, XLogP of 2.30, 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-4-chloro-2-methylanilino)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 113059887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).