3-methyl-N-(oxolan-3-ylmethyl)-4-(propylamino)benzamide

C16H24N2O2 — CID 63211762

IUPAC3-methyl-N-(oxolan-3-ylmethyl)-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)NCC2CCOC2)cc1C
InChIInChI=1S/C16H24N2O2/c1-3-7-17-15-5-4-14(9-12(15)2)16(19)18-10-13-6-8-20-11-13/h4-5,9,13,17H,3,6-8,10-11H2,1-2H3,(H,18,19)
InChIKeyZWHZAZVEVLAEBV-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.58
Rot. Bonds6

About 3-methyl-N-(oxolan-3-ylmethyl)-4-(propylamino)benzamide

3-methyl-N-(oxolan-3-ylmethyl)-4-(propylamino)benzamide (PubChem CID 63211762) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-methyl-N-(oxolan-3-ylmethyl)-4-(propylamino)benzamide.

Molecular Properties

Compound Name3-methyl-N-(oxolan-3-ylmethyl)-4-(propylamino)benzamide
PubChem CID63211762
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-methyl-N-(oxolan-3-ylmethyl)-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)NCC2CCOC2)cc1C
InChIInChI=1S/C16H24N2O2/c1-3-7-17-15-5-4-14(9-12(15)2)16(19)18-10-13-6-8-20-11-13/h4-5,9,13,17H,3,6-8,10-11H2,1-2H3,(H,18,19)
InChIKeyZWHZAZVEVLAEBV-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-(propylamino)-N-(thiolan-3-ylmethyl)benzamide
CID 107298173
3-methyl-4-(oxolan-3-ylmethylamino)benzamide
CID 43706987
4-hydrazinyl-3-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63706454
3-methyl-N-(2-methylpropyl)-4-(oxan-3-ylmethylamino)benzamide
CID 132970891
4-(ethylamino)-3-methyl-N-[(4-methylcyclohexyl)methyl]benzamide
CID 63247733
3-bromo-4-methyl-N-(oxan-3-ylmethyl)benzamide
CID 79466570
2-ethyl-5-(oxolan-3-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65396832
3-bromo-4-methyl-N-(oxan-4-ylmethyl)benzamide
CID 79462678
N,N,4-trimethyl-3-(oxolan-3-ylmethylamino)benzamide
CID 43695009
N-(3-amino-3-oxopropyl)-3-methyl-4-(propylamino)benzamide
CID 63210532
3-methyl-N-(2-methylsulfanylethyl)-4-(propylamino)benzamide
CID 63963366
2,4-dimethyl-N-(oxolan-3-ylmethyl)aniline
CID 43189804

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(oxolan-3-ylmethyl)-4-(propylamino)benzamide?
The IUPAC name of 3-methyl-N-(oxolan-3-ylmethyl)-4-(propylamino)benzamide (CID 63211762) is 3-methyl-N-(oxolan-3-ylmethyl)-4-(propylamino)benzamide.
What is the SMILES notation for 3-methyl-N-(oxolan-3-ylmethyl)-4-(propylamino)benzamide?
The canonical SMILES for 3-methyl-N-(oxolan-3-ylmethyl)-4-(propylamino)benzamide is CCCNc1ccc(C(=O)NCC2CCOC2)cc1C.
What is the InChIKey of 3-methyl-N-(oxolan-3-ylmethyl)-4-(propylamino)benzamide?
The InChIKey is ZWHZAZVEVLAEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-7-17-15-5-4-14(9-12(15)2)16(19)18-10-13-6-8-20-11-13/h4-5,9,13,17H,3,6-8,10-11H2,1-2H3,(H,18,19).
What are the key properties of 3-methyl-N-(oxolan-3-ylmethyl)-4-(propylamino)benzamide?
3-methyl-N-(oxolan-3-ylmethyl)-4-(propylamino)benzamide has a molecular weight of 276.38 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(oxolan-3-ylmethyl)-4-(propylamino)benzamide is sourced from PubChem (CID 63211762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).