N-[3-[(4-cyanophenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide

C20H19N3O3 — CID 134035566

IUPACN-[3-[(4-cyanophenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide
SMILESN#Cc1ccc(CNC(=O)c2cccc(NC(=O)C3CCCO3)c2)cc1
InChIInChI=1S/C20H19N3O3/c21-12-14-6-8-15(9-7-14)13-22-19(24)16-3-1-4-17(11-16)23-20(25)18-5-2-10-26-18/h1,3-4,6-9,11,18H,2,5,10,13H2,(H,22,24)(H,23,25)
InChIKeyKJTFOSTXRJFXTN-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.61
Rot. Bonds5

About N-[3-[(4-cyanophenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide

N-[3-[(4-cyanophenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 134035566) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[3-[(4-cyanophenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-cyanophenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide
PubChem CID134035566
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-[3-[(4-cyanophenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide
SMILESN#Cc1ccc(CNC(=O)c2cccc(NC(=O)C3CCCO3)c2)cc1
InChIInChI=1S/C20H19N3O3/c21-12-14-6-8-15(9-7-14)13-22-19(24)16-3-1-4-17(11-16)23-20(25)18-5-2-10-26-18/h1,3-4,6-9,11,18H,2,5,10,13H2,(H,22,24)(H,23,25)
InChIKeyKJTFOSTXRJFXTN-UHFFFAOYSA-N
XLogP2.61
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(benzylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 2971215
N-[3-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 46592689
N-[3-[(4-cyanophenyl)methyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 134004304
(2S)-N-[3-[[4-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 32781324
5-[[[3-(oxolane-2-carbonylamino)benzoyl]amino]methyl]furan-2-carboxylic acid
CID 119245842
N-[3-(2-hydroxyethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 78845452
N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 42889236
4-[[3-(oxolane-2-carbonylamino)phenyl]methylcarbamoyl]benzoic acid
CID 119182538
N-[3-[2-(methylamino)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 119504077
N-[3-(2-cyclopentylethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 42884229
N-[(4-cyanophenyl)methyl]-3-(2,2-dimethylpropanoylamino)benzamide
CID 134035544
N-[3-[2-(4-tert-butylphenyl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 46442303

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-cyanophenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-[(4-cyanophenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide (CID 134035566) is N-[3-[(4-cyanophenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-[(4-cyanophenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-[(4-cyanophenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide is N#Cc1ccc(CNC(=O)c2cccc(NC(=O)C3CCCO3)c2)cc1.
What is the InChIKey of N-[3-[(4-cyanophenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide?
The InChIKey is KJTFOSTXRJFXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c21-12-14-6-8-15(9-7-14)13-22-19(24)16-3-1-4-17(11-16)23-20(25)18-5-2-10-26-18/h1,3-4,6-9,11,18H,2,5,10,13H2,(H,22,24)(H,23,25).
What are the key properties of N-[3-[(4-cyanophenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide?
N-[3-[(4-cyanophenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-cyanophenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 134035566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).