N-[2-(N-acetylanilino)ethyl]oxolane-2-carboxamide

C15H20N2O3 — CID 113057159

IUPACN-[2-(N-acetylanilino)ethyl]oxolane-2-carboxamide
SMILESCC(=O)N(CCNC(=O)C1CCCO1)c1ccccc1
InChIInChI=1S/C15H20N2O3/c1-12(18)17(13-6-3-2-4-7-13)10-9-16-15(19)14-8-5-11-20-14/h2-4,6-7,14H,5,8-11H2,1H3,(H,16,19)
InChIKeyDPVONNJSFAYQSZ-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.33
Rot. Bonds5

About N-[2-(N-acetylanilino)ethyl]oxolane-2-carboxamide

N-[2-(N-acetylanilino)ethyl]oxolane-2-carboxamide (PubChem CID 113057159) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[2-(N-acetylanilino)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(N-acetylanilino)ethyl]oxolane-2-carboxamide
PubChem CID113057159
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-[2-(N-acetylanilino)ethyl]oxolane-2-carboxamide
SMILESCC(=O)N(CCNC(=O)C1CCCO1)c1ccccc1
InChIInChI=1S/C15H20N2O3/c1-12(18)17(13-6-3-2-4-7-13)10-9-16-15(19)14-8-5-11-20-14/h2-4,6-7,14H,5,8-11H2,1H3,(H,16,19)
InChIKeyDPVONNJSFAYQSZ-UHFFFAOYSA-N
XLogP1.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(N-acetyl-4-phenoxyanilino)ethyl]oxolane-2-carboxamide
CID 113062539
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]oxolane-2-carboxamide
CID 113059087
N-[2-(N-acetyl-2-tert-butylanilino)ethyl]oxolane-2-carboxamide
CID 113059012
(2S)-N-[2-(N-methylanilino)ethyl]oxane-2-carboxamide
CID 99576902
N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]oxolane-2-carboxamide
CID 113061366
N-[2-(N-acetyl-2,3-dimethylanilino)ethyl]oxolane-2-carboxamide
CID 113058185
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]oxolane-2-carboxamide
CID 113059887
N-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]oxolane-2-carboxamide
CID 113067492
N-[2-(N-benzylanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 113000338
N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]oxolane-2-carboxamide
CID 113055816
3-(N-[(2R)-oxolane-2-carbonyl]anilino)propanoic acid
CID 93332713
N-[2-(cyclohexylcarbamoylamino)ethyl]-N-phenylacetamide
CID 113057217

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetylanilino)ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-(N-acetylanilino)ethyl]oxolane-2-carboxamide (CID 113057159) is N-[2-(N-acetylanilino)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-(N-acetylanilino)ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-(N-acetylanilino)ethyl]oxolane-2-carboxamide is CC(=O)N(CCNC(=O)C1CCCO1)c1ccccc1.
What is the InChIKey of N-[2-(N-acetylanilino)ethyl]oxolane-2-carboxamide?
The InChIKey is DPVONNJSFAYQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-12(18)17(13-6-3-2-4-7-13)10-9-16-15(19)14-8-5-11-20-14/h2-4,6-7,14H,5,8-11H2,1H3,(H,16,19).
What are the key properties of N-[2-(N-acetylanilino)ethyl]oxolane-2-carboxamide?
N-[2-(N-acetylanilino)ethyl]oxolane-2-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetylanilino)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 113057159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).