4-(methylamino)-N-[2-(oxolan-3-yl)ethyl]benzamide

C14H20N2O2 — CID 114131493

IUPAC4-(methylamino)-N-[2-(oxolan-3-yl)ethyl]benzamide
SMILESCNc1ccc(C(=O)NCCC2CCOC2)cc1
InChIInChI=1S/C14H20N2O2/c1-15-13-4-2-12(3-5-13)14(17)16-8-6-11-7-9-18-10-11/h2-5,11,15H,6-10H2,1H3,(H,16,17)
InChIKeyXPUDOLZSOKDGSE-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.88
Rot. Bonds5

About 4-(methylamino)-N-[2-(oxolan-3-yl)ethyl]benzamide

4-(methylamino)-N-[2-(oxolan-3-yl)ethyl]benzamide (PubChem CID 114131493) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-(methylamino)-N-[2-(oxolan-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(methylamino)-N-[2-(oxolan-3-yl)ethyl]benzamide
PubChem CID114131493
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-(methylamino)-N-[2-(oxolan-3-yl)ethyl]benzamide
SMILESCNc1ccc(C(=O)NCCC2CCOC2)cc1
InChIInChI=1S/C14H20N2O2/c1-15-13-4-2-12(3-5-13)14(17)16-8-6-11-7-9-18-10-11/h2-5,11,15H,6-10H2,1H3,(H,16,17)
InChIKeyXPUDOLZSOKDGSE-UHFFFAOYSA-N
XLogP1.88
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclobutylethyl)-4-(methylamino)benzamide
CID 113479358
4-(4-methylsulfonylphenyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]benzamide
CID 126447960
4-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 121497411
3-(methylamino)-N-[2-(oxan-4-yl)ethyl]benzamide
CID 115160939
4-(5-methoxy-3-pyridinyl)-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 121494536
3-chloro-4-iodo-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 113415088
3-bromo-4-methoxy-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 113415100
N,N-dimethyl-5-[4-[2-(oxolan-3-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 121494638
N-[2-(oxolan-3-yl)ethyl]-3-sulfanylbenzamide
CID 114130501
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[2-[(3R)-oxolan-3-yl]ethyl]benzamide
CID 125164487
3-[3-(dimethylamino)phenyl]-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide
CID 125174087
1-ethyl-N-[2-[(3S)-oxolan-3-yl]ethyl]indole-5-carboxamide
CID 125442573

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[2-(oxolan-3-yl)ethyl]benzamide?
The IUPAC name of 4-(methylamino)-N-[2-(oxolan-3-yl)ethyl]benzamide (CID 114131493) is 4-(methylamino)-N-[2-(oxolan-3-yl)ethyl]benzamide.
What is the SMILES notation for 4-(methylamino)-N-[2-(oxolan-3-yl)ethyl]benzamide?
The canonical SMILES for 4-(methylamino)-N-[2-(oxolan-3-yl)ethyl]benzamide is CNc1ccc(C(=O)NCCC2CCOC2)cc1.
What is the InChIKey of 4-(methylamino)-N-[2-(oxolan-3-yl)ethyl]benzamide?
The InChIKey is XPUDOLZSOKDGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-15-13-4-2-12(3-5-13)14(17)16-8-6-11-7-9-18-10-11/h2-5,11,15H,6-10H2,1H3,(H,16,17).
What are the key properties of 4-(methylamino)-N-[2-(oxolan-3-yl)ethyl]benzamide?
4-(methylamino)-N-[2-(oxolan-3-yl)ethyl]benzamide has a molecular weight of 248.33 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[2-(oxolan-3-yl)ethyl]benzamide is sourced from PubChem (CID 114131493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).