N-[cyano(phenyl)methyl]oxane-2-carboxamide

C14H16N2O2 — CID 62214242

IUPACN-[cyano(phenyl)methyl]oxane-2-carboxamide
SMILESN#CC(NC(=O)C1CCCCO1)c1ccccc1
InChIInChI=1S/C14H16N2O2/c15-10-12(11-6-2-1-3-7-11)16-14(17)13-8-4-5-9-18-13/h1-3,6-7,12-13H,4-5,8-9H2,(H,16,17)
InChIKeyAAIDAKNMKLWRFN-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.94
Rot. Bonds3

About N-[cyano(phenyl)methyl]oxane-2-carboxamide

N-[cyano(phenyl)methyl]oxane-2-carboxamide (PubChem CID 62214242) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-[cyano(phenyl)methyl]oxane-2-carboxamide.

Molecular Properties

Compound NameN-[cyano(phenyl)methyl]oxane-2-carboxamide
PubChem CID62214242
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-[cyano(phenyl)methyl]oxane-2-carboxamide
SMILESN#CC(NC(=O)C1CCCCO1)c1ccccc1
InChIInChI=1S/C14H16N2O2/c15-10-12(11-6-2-1-3-7-11)16-14(17)13-8-4-5-9-18-13/h1-3,6-7,12-13H,4-5,8-9H2,(H,16,17)
InChIKeyAAIDAKNMKLWRFN-UHFFFAOYSA-N
XLogP1.94
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyano(phenyl)methyl]cycloheptanecarboxamide
CID 62586494
N-[cyano(phenyl)methyl]cyclobutanecarboxamide
CID 60699487
(2S)-N-[(1S)-1-phenylethyl]oxolane-2-carboxamide
CID 896917
N-[cyano(phenyl)methyl]-4-methylcyclohexane-1-carboxamide
CID 79005788
N-(2-amino-1-phenylethyl)oxolane-2-carboxamide
CID 55242926
N-[(1S)-2-amino-1-phenylethyl]oxolane-2-carboxamide
CID 57091313
1-[cyano(phenyl)methyl]-3-cyclohexylurea
CID 54904474
(2S)-2-(oxane-2-carbonylamino)-3-phenylpropanoic acid
CID 62213678
N-[cyano(cyclohexyl)methyl]oxane-2-carboxamide
CID 55048282
(2R)-N-[(S)-phenyl(thiophen-2-yl)methyl]oxolane-2-carboxamide
CID 38010742
2-naphthalen-2-yl-2-(oxane-2-carbonylamino)acetic acid
CID 120543519
[(R)-cyano(phenyl)methyl]carbamic acid
CID 90107575

Frequently Asked Questions

What is the IUPAC name of N-[cyano(phenyl)methyl]oxane-2-carboxamide?
The IUPAC name of N-[cyano(phenyl)methyl]oxane-2-carboxamide (CID 62214242) is N-[cyano(phenyl)methyl]oxane-2-carboxamide.
What is the SMILES notation for N-[cyano(phenyl)methyl]oxane-2-carboxamide?
The canonical SMILES for N-[cyano(phenyl)methyl]oxane-2-carboxamide is N#CC(NC(=O)C1CCCCO1)c1ccccc1.
What is the InChIKey of N-[cyano(phenyl)methyl]oxane-2-carboxamide?
The InChIKey is AAIDAKNMKLWRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c15-10-12(11-6-2-1-3-7-11)16-14(17)13-8-4-5-9-18-13/h1-3,6-7,12-13H,4-5,8-9H2,(H,16,17).
What are the key properties of N-[cyano(phenyl)methyl]oxane-2-carboxamide?
N-[cyano(phenyl)methyl]oxane-2-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(phenyl)methyl]oxane-2-carboxamide is sourced from PubChem (CID 62214242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).