4-[ethyl(methyl)amino]-N-(oxan-3-ylmethyl)benzamide

C16H24N2O2 — CID 47447689

IUPAC4-[ethyl(methyl)amino]-N-(oxan-3-ylmethyl)benzamide
SMILESCCN(C)c1ccc(C(=O)NCC2CCCOC2)cc1
InChIInChI=1S/C16H24N2O2/c1-3-18(2)15-8-6-14(7-9-15)16(19)17-11-13-5-4-10-20-12-13/h6-9,13H,3-5,10-12H2,1-2H3,(H,17,19)
InChIKeyJWACTRNRNATJOA-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.30
Rot. Bonds5

About 4-[ethyl(methyl)amino]-N-(oxan-3-ylmethyl)benzamide

4-[ethyl(methyl)amino]-N-(oxan-3-ylmethyl)benzamide (PubChem CID 47447689) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-[ethyl(methyl)amino]-N-(oxan-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[ethyl(methyl)amino]-N-(oxan-3-ylmethyl)benzamide
PubChem CID47447689
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-[ethyl(methyl)amino]-N-(oxan-3-ylmethyl)benzamide
SMILESCCN(C)c1ccc(C(=O)NCC2CCCOC2)cc1
InChIInChI=1S/C16H24N2O2/c1-3-18(2)15-8-6-14(7-9-15)16(19)17-11-13-5-4-10-20-12-13/h6-9,13H,3-5,10-12H2,1-2H3,(H,17,19)
InChIKeyJWACTRNRNATJOA-UHFFFAOYSA-N
XLogP2.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(ethylamino)-N-(oxan-3-ylmethyl)benzamide
CID 62175319
4-hydrazinyl-N-(oxan-3-ylmethyl)benzamide
CID 62247297
3-bromo-4-methyl-N-(oxan-3-ylmethyl)benzamide
CID 79466570
N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 47292432
3-hydroxy-4-methoxy-N-(oxan-3-ylmethyl)benzamide
CID 79672650
4-(2-methylsulfanylphenyl)-N-[[(3S)-oxan-3-yl]methyl]benzamide
CID 126439334
4-(4-methyl-2-pyridinyl)-N-[[(3S)-oxan-3-yl]methyl]benzamide
CID 126444759
3,4,5-trifluoro-N-(oxan-3-ylmethyl)benzamide
CID 55159260
N-[[(3R)-oxan-3-yl]methyl]-3-(propan-2-ylamino)benzamide
CID 99806943
methyl 4-[2-(oxan-3-ylmethylamino)-2-oxoethyl]benzoate
CID 122151417
methyl 4-[2-[[(3R)-oxan-3-yl]methylamino]-2-oxoethyl]benzoate
CID 125144263
3-(dimethylamino)-N-(oxolan-3-ylmethyl)benzamide
CID 47179453

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(methyl)amino]-N-(oxan-3-ylmethyl)benzamide?
The IUPAC name of 4-[ethyl(methyl)amino]-N-(oxan-3-ylmethyl)benzamide (CID 47447689) is 4-[ethyl(methyl)amino]-N-(oxan-3-ylmethyl)benzamide.
What is the SMILES notation for 4-[ethyl(methyl)amino]-N-(oxan-3-ylmethyl)benzamide?
The canonical SMILES for 4-[ethyl(methyl)amino]-N-(oxan-3-ylmethyl)benzamide is CCN(C)c1ccc(C(=O)NCC2CCCOC2)cc1.
What is the InChIKey of 4-[ethyl(methyl)amino]-N-(oxan-3-ylmethyl)benzamide?
The InChIKey is JWACTRNRNATJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-18(2)15-8-6-14(7-9-15)16(19)17-11-13-5-4-10-20-12-13/h6-9,13H,3-5,10-12H2,1-2H3,(H,17,19).
What are the key properties of 4-[ethyl(methyl)amino]-N-(oxan-3-ylmethyl)benzamide?
4-[ethyl(methyl)amino]-N-(oxan-3-ylmethyl)benzamide has a molecular weight of 276.38 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(methyl)amino]-N-(oxan-3-ylmethyl)benzamide is sourced from PubChem (CID 47447689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).