N-[4-(aminomethyl)phenyl]-N-methyloxane-2-carboxamide

C14H20N2O2 — CID 55048035

IUPACN-[4-(aminomethyl)phenyl]-N-methyloxane-2-carboxamide
SMILESCN(C(=O)C1CCCCO1)c1ccc(CN)cc1
InChIInChI=1S/C14H20N2O2/c1-16(12-7-5-11(10-15)6-8-12)14(17)13-4-2-3-9-18-13/h5-8,13H,2-4,9-10,15H2,1H3
InChIKeyZQICOZHKYWSMAR-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.68
Rot. Bonds3

About N-[4-(aminomethyl)phenyl]-N-methyloxane-2-carboxamide

N-[4-(aminomethyl)phenyl]-N-methyloxane-2-carboxamide (PubChem CID 55048035) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-N-methyloxane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-N-methyloxane-2-carboxamide
PubChem CID55048035
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[4-(aminomethyl)phenyl]-N-methyloxane-2-carboxamide
SMILESCN(C(=O)C1CCCCO1)c1ccc(CN)cc1
InChIInChI=1S/C14H20N2O2/c1-16(12-7-5-11(10-15)6-8-12)14(17)13-4-2-3-9-18-13/h5-8,13H,2-4,9-10,15H2,1H3
InChIKeyZQICOZHKYWSMAR-UHFFFAOYSA-N
XLogP1.68
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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oxane-2-carboxylic acid;phenylmethanamine
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N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methyloxolane-2-carboxamide
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N-methyl-N-(3-nitrophenyl)oxolane-2-carboxamide
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N-[[4-(aminomethyl)phenyl]methyl]-N-methylcyclopentanecarboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-N-methyloxane-2-carboxamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-N-methyloxane-2-carboxamide (CID 55048035) is N-[4-(aminomethyl)phenyl]-N-methyloxane-2-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-N-methyloxane-2-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-N-methyloxane-2-carboxamide is CN(C(=O)C1CCCCO1)c1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-N-methyloxane-2-carboxamide?
The InChIKey is ZQICOZHKYWSMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-16(12-7-5-11(10-15)6-8-12)14(17)13-4-2-3-9-18-13/h5-8,13H,2-4,9-10,15H2,1H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-N-methyloxane-2-carboxamide?
N-[4-(aminomethyl)phenyl]-N-methyloxane-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-N-methyloxane-2-carboxamide is sourced from PubChem (CID 55048035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).