N-[2-(3-cyanoanilino)-2-oxoethyl]oxolane-2-carboxamide

C14H15N3O3 — CID 113001915

IUPACN-[2-(3-cyanoanilino)-2-oxoethyl]oxolane-2-carboxamide
SMILESN#Cc1cccc(NC(=O)CNC(=O)C2CCCO2)c1
InChIInChI=1S/C14H15N3O3/c15-8-10-3-1-4-11(7-10)17-13(18)9-16-14(19)12-5-2-6-20-12/h1,3-4,7,12H,2,5-6,9H2,(H,16,19)(H,17,18)
InChIKeyUSEWFGXBZUWWMG-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.79
Rot. Bonds4

About N-[2-(3-cyanoanilino)-2-oxoethyl]oxolane-2-carboxamide

N-[2-(3-cyanoanilino)-2-oxoethyl]oxolane-2-carboxamide (PubChem CID 113001915) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-[2-(3-cyanoanilino)-2-oxoethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-cyanoanilino)-2-oxoethyl]oxolane-2-carboxamide
PubChem CID113001915
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-[2-(3-cyanoanilino)-2-oxoethyl]oxolane-2-carboxamide
SMILESN#Cc1cccc(NC(=O)CNC(=O)C2CCCO2)c1
InChIInChI=1S/C14H15N3O3/c15-8-10-3-1-4-11(7-10)17-13(18)9-16-14(19)12-5-2-6-20-12/h1,3-4,7,12H,2,5-6,9H2,(H,16,19)(H,17,18)
InChIKeyUSEWFGXBZUWWMG-UHFFFAOYSA-N
XLogP0.79
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-acetamidoanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 112999667
N-[2-(3-fluoroanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 49336024
N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]oxolane-2-carboxamide
CID 108924019
N-[2-(3,4-dichloroanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 113001183
N-[2-(4-methylanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 112996161
N-[2-(4-bromoanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 47309395
N-[3-[(4-cyanophenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 134035566
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
2-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 108994419
(2R)-N-[3-[(4-cyano-2-fluoroanilino)methyl]phenyl]oxolane-2-carboxamide
CID 52855519
N-[3-(3-aminoprop-1-ynyl)phenyl]oxolane-2-carboxamide
CID 60803928
N-(3-cyanophenyl)-2-cyclopropylacetamide
CID 56828279

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyanoanilino)-2-oxoethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-(3-cyanoanilino)-2-oxoethyl]oxolane-2-carboxamide (CID 113001915) is N-[2-(3-cyanoanilino)-2-oxoethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-(3-cyanoanilino)-2-oxoethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-(3-cyanoanilino)-2-oxoethyl]oxolane-2-carboxamide is N#Cc1cccc(NC(=O)CNC(=O)C2CCCO2)c1.
What is the InChIKey of N-[2-(3-cyanoanilino)-2-oxoethyl]oxolane-2-carboxamide?
The InChIKey is USEWFGXBZUWWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c15-8-10-3-1-4-11(7-10)17-13(18)9-16-14(19)12-5-2-6-20-12/h1,3-4,7,12H,2,5-6,9H2,(H,16,19)(H,17,18).
What are the key properties of N-[2-(3-cyanoanilino)-2-oxoethyl]oxolane-2-carboxamide?
N-[2-(3-cyanoanilino)-2-oxoethyl]oxolane-2-carboxamide has a molecular weight of 273.29 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyanoanilino)-2-oxoethyl]oxolane-2-carboxamide is sourced from PubChem (CID 113001915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).