N-ethyl-3-(oxan-4-ylamino)benzamide

C14H20N2O2 — CID 43680696

IUPACN-ethyl-3-(oxan-4-ylamino)benzamide
SMILESCCNC(=O)c1cccc(NC2CCOCC2)c1
InChIInChI=1S/C14H20N2O2/c1-2-15-14(17)11-4-3-5-13(10-11)16-12-6-8-18-9-7-12/h3-5,10,12,16H,2,6-9H2,1H3,(H,15,17)
InChIKeyDUAPPFMKUXITJK-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.03
Rot. Bonds4

About N-ethyl-3-(oxan-4-ylamino)benzamide

N-ethyl-3-(oxan-4-ylamino)benzamide (PubChem CID 43680696) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-ethyl-3-(oxan-4-ylamino)benzamide.

Molecular Properties

Compound NameN-ethyl-3-(oxan-4-ylamino)benzamide
PubChem CID43680696
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-ethyl-3-(oxan-4-ylamino)benzamide
SMILESCCNC(=O)c1cccc(NC2CCOCC2)c1
InChIInChI=1S/C14H20N2O2/c1-2-15-14(17)11-4-3-5-13(10-11)16-12-6-8-18-9-7-12/h3-5,10,12,16H,2,6-9H2,1H3,(H,15,17)
InChIKeyDUAPPFMKUXITJK-UHFFFAOYSA-N
XLogP2.03
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]benzamide
CID 43680712
N-ethyl-3-[(2-methylcyclopentyl)amino]benzamide
CID 65044409
3-acetamido-N-ethylbenzamide
CID 17230670
N-cyclopropyl-3-(cyclopropylamino)benzamide
CID 103438850
3-(methylamino)-N-[2-(oxan-4-yl)ethyl]benzamide
CID 115160939
3-(cyclopropanecarbonylcarbamothioylamino)-N-ethylbenzamide
CID 17230908
N-(3-bromophenyl)oxan-4-amine
CID 43608425
3-[(3,5-dimethylcyclohexyl)amino]-N-propylbenzamide
CID 64752912
N-ethyl-3-hydroxybenzamide
CID 13175248
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxy-2-sulfanylbutyl]-3-(oxan-4-ylamino)benzamide
CID 123313250
N-[(2R)-2-hydroxy-3-(1,3,4,5-tetrahydroisoindol-2-yl)propyl]-3-(oxan-4-ylamino)benzamide
CID 139437878
3-[(3-methoxycyclohexyl)amino]-N-propylbenzamide
CID 106871637

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(oxan-4-ylamino)benzamide?
The IUPAC name of N-ethyl-3-(oxan-4-ylamino)benzamide (CID 43680696) is N-ethyl-3-(oxan-4-ylamino)benzamide.
What is the SMILES notation for N-ethyl-3-(oxan-4-ylamino)benzamide?
The canonical SMILES for N-ethyl-3-(oxan-4-ylamino)benzamide is CCNC(=O)c1cccc(NC2CCOCC2)c1.
What is the InChIKey of N-ethyl-3-(oxan-4-ylamino)benzamide?
The InChIKey is DUAPPFMKUXITJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-15-14(17)11-4-3-5-13(10-11)16-12-6-8-18-9-7-12/h3-5,10,12,16H,2,6-9H2,1H3,(H,15,17).
What are the key properties of N-ethyl-3-(oxan-4-ylamino)benzamide?
N-ethyl-3-(oxan-4-ylamino)benzamide has a molecular weight of 248.33 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(oxan-4-ylamino)benzamide is sourced from PubChem (CID 43680696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).