5-methyl-N-(oxolan-2-ylmethyl)-2-(propylamino)benzamide

C16H24N2O2 — CID 62509999

IUPAC5-methyl-N-(oxolan-2-ylmethyl)-2-(propylamino)benzamide
SMILESCCCNc1ccc(C)cc1C(=O)NCC1CCCO1
InChIInChI=1S/C16H24N2O2/c1-3-8-17-15-7-6-12(2)10-14(15)16(19)18-11-13-5-4-9-20-13/h6-7,10,13,17H,3-5,8-9,11H2,1-2H3,(H,18,19)
InChIKeyNEOLAYAUHBOQCJ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.73
Rot. Bonds6

About 5-methyl-N-(oxolan-2-ylmethyl)-2-(propylamino)benzamide

5-methyl-N-(oxolan-2-ylmethyl)-2-(propylamino)benzamide (PubChem CID 62509999) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 5-methyl-N-(oxolan-2-ylmethyl)-2-(propylamino)benzamide.

Molecular Properties

Compound Name5-methyl-N-(oxolan-2-ylmethyl)-2-(propylamino)benzamide
PubChem CID62509999
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name5-methyl-N-(oxolan-2-ylmethyl)-2-(propylamino)benzamide
SMILESCCCNc1ccc(C)cc1C(=O)NCC1CCCO1
InChIInChI=1S/C16H24N2O2/c1-3-8-17-15-7-6-12(2)10-14(15)16(19)18-11-13-5-4-9-20-13/h6-7,10,13,17H,3-5,8-9,11H2,1-2H3,(H,18,19)
InChIKeyNEOLAYAUHBOQCJ-UHFFFAOYSA-N
XLogP2.73
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxolan-2-ylmethyl)-3-(propylamino)pyridine-4-carboxamide
CID 105068089
5-methyl-2-(propylamino)-N-(thiolan-2-ylmethyl)benzamide
CID 80586079
5-methyl-2-(oxan-2-ylmethylamino)benzoic acid
CID 62516569
5-(diethylsulfamoyl)-2-(2-methoxyethylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 25349046
2,4,5-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95970650
1-(2,4-dimethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 6467733
3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 2233372
3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 2977769
4-(2,5-dimethylphenyl)-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]butanamide
CID 94102322
N-(1,4-dioxan-2-ylmethyl)-2-hydrazinyl-5-methylbenzamide
CID 62509083
N-(1,4-dioxan-2-ylmethyl)-5-methyl-2-(methylamino)benzamide
CID 62510212
2,3-difluoro-4-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 2938828

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(oxolan-2-ylmethyl)-2-(propylamino)benzamide?
The IUPAC name of 5-methyl-N-(oxolan-2-ylmethyl)-2-(propylamino)benzamide (CID 62509999) is 5-methyl-N-(oxolan-2-ylmethyl)-2-(propylamino)benzamide.
What is the SMILES notation for 5-methyl-N-(oxolan-2-ylmethyl)-2-(propylamino)benzamide?
The canonical SMILES for 5-methyl-N-(oxolan-2-ylmethyl)-2-(propylamino)benzamide is CCCNc1ccc(C)cc1C(=O)NCC1CCCO1.
What is the InChIKey of 5-methyl-N-(oxolan-2-ylmethyl)-2-(propylamino)benzamide?
The InChIKey is NEOLAYAUHBOQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-8-17-15-7-6-12(2)10-14(15)16(19)18-11-13-5-4-9-20-13/h6-7,10,13,17H,3-5,8-9,11H2,1-2H3,(H,18,19).
What are the key properties of 5-methyl-N-(oxolan-2-ylmethyl)-2-(propylamino)benzamide?
5-methyl-N-(oxolan-2-ylmethyl)-2-(propylamino)benzamide has a molecular weight of 276.38 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(oxolan-2-ylmethyl)-2-(propylamino)benzamide is sourced from PubChem (CID 62509999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).