N-[2-[benzyl(methyl)amino]-2-oxoethyl]oxane-4-carboxamide

C16H22N2O3 — CID 112992423

IUPACN-[2-[benzyl(methyl)amino]-2-oxoethyl]oxane-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)CNC(=O)C1CCOCC1
InChIInChI=1S/C16H22N2O3/c1-18(12-13-5-3-2-4-6-13)15(19)11-17-16(20)14-7-9-21-10-8-14/h2-6,14H,7-12H2,1H3,(H,17,20)
InChIKeyWFWHCPQHIICGOQ-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.19
Rot. Bonds5

About N-[2-[benzyl(methyl)amino]-2-oxoethyl]oxane-4-carboxamide

N-[2-[benzyl(methyl)amino]-2-oxoethyl]oxane-4-carboxamide (PubChem CID 112992423) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[2-[benzyl(methyl)amino]-2-oxoethyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-[benzyl(methyl)amino]-2-oxoethyl]oxane-4-carboxamide
PubChem CID112992423
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[2-[benzyl(methyl)amino]-2-oxoethyl]oxane-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)CNC(=O)C1CCOCC1
InChIInChI=1S/C16H22N2O3/c1-18(12-13-5-3-2-4-6-13)15(19)11-17-16(20)14-7-9-21-10-8-14/h2-6,14H,7-12H2,1H3,(H,17,20)
InChIKeyWFWHCPQHIICGOQ-UHFFFAOYSA-N
XLogP1.19
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 16283470
N-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 24236870
Acetamide, 2-(diethylamino)-N-(phenylmethyl)-
CID 969777
1-[2-[(4-Methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(methyl)amino]-2-oxoethyl]oxane-4-carboxamide?
The IUPAC name of N-[2-[benzyl(methyl)amino]-2-oxoethyl]oxane-4-carboxamide (CID 112992423) is N-[2-[benzyl(methyl)amino]-2-oxoethyl]oxane-4-carboxamide.
What is the SMILES notation for N-[2-[benzyl(methyl)amino]-2-oxoethyl]oxane-4-carboxamide?
The canonical SMILES for N-[2-[benzyl(methyl)amino]-2-oxoethyl]oxane-4-carboxamide is CN(Cc1ccccc1)C(=O)CNC(=O)C1CCOCC1.
What is the InChIKey of N-[2-[benzyl(methyl)amino]-2-oxoethyl]oxane-4-carboxamide?
The InChIKey is WFWHCPQHIICGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-18(12-13-5-3-2-4-6-13)15(19)11-17-16(20)14-7-9-21-10-8-14/h2-6,14H,7-12H2,1H3,(H,17,20).
What are the key properties of N-[2-[benzyl(methyl)amino]-2-oxoethyl]oxane-4-carboxamide?
N-[2-[benzyl(methyl)amino]-2-oxoethyl]oxane-4-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(methyl)amino]-2-oxoethyl]oxane-4-carboxamide is sourced from PubChem (CID 112992423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).