N-cyclopropyl-4-(oxan-3-ylmethylamino)benzamide

C16H22N2O2 — CID 63737546

IUPACN-cyclopropyl-4-(oxan-3-ylmethylamino)benzamide
SMILESO=C(NC1CC1)c1ccc(NCC2CCCOC2)cc1
InChIInChI=1S/C16H22N2O2/c19-16(18-15-7-8-15)13-3-5-14(6-4-13)17-10-12-2-1-9-20-11-12/h3-6,12,15,17H,1-2,7-11H2,(H,18,19)
InChIKeyIAVNGHBBYIAZHP-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.42
Rot. Bonds5

About N-cyclopropyl-4-(oxan-3-ylmethylamino)benzamide

N-cyclopropyl-4-(oxan-3-ylmethylamino)benzamide (PubChem CID 63737546) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-cyclopropyl-4-(oxan-3-ylmethylamino)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(oxan-3-ylmethylamino)benzamide
PubChem CID63737546
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-cyclopropyl-4-(oxan-3-ylmethylamino)benzamide
SMILESO=C(NC1CC1)c1ccc(NCC2CCCOC2)cc1
InChIInChI=1S/C16H22N2O2/c19-16(18-15-7-8-15)13-3-5-14(6-4-13)17-10-12-2-1-9-20-11-12/h3-6,12,15,17H,1-2,7-11H2,(H,18,19)
InChIKeyIAVNGHBBYIAZHP-UHFFFAOYSA-N
XLogP2.42
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-(oxolan-3-ylmethylamino)benzamide
CID 43687551
4-(ethylamino)-N-(oxan-3-ylmethyl)benzamide
CID 62175319
4-hydrazinyl-N-(oxan-3-ylmethyl)benzamide
CID 62247297
2-[4-(oxan-3-ylmethylamino)phenyl]acetamide
CID 63739848
N-ethyl-2-[4-(oxan-3-ylmethylamino)phenyl]acetamide
CID 63741623
4-(oxolan-3-ylmethylamino)-N-prop-2-enylbenzamide
CID 54865698
2-chloro-N-methyl-5-(oxan-3-ylmethylamino)benzamide
CID 63740745
2-fluoro-5-(oxan-3-ylmethylamino)benzoic acid
CID 63741089
N-cyclobutyl-3-[[(3R)-oxan-3-yl]methylsulfamoyl]benzamide
CID 97192873
3-bromo-4-methyl-N-(oxan-3-ylmethyl)benzamide
CID 79466570
N-cyclobutyl-4-(propylamino)benzamide
CID 55067083
N-[4-(oxolan-3-ylmethylamino)phenyl]cyclopropanecarboxamide
CID 43204093

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(oxan-3-ylmethylamino)benzamide?
The IUPAC name of N-cyclopropyl-4-(oxan-3-ylmethylamino)benzamide (CID 63737546) is N-cyclopropyl-4-(oxan-3-ylmethylamino)benzamide.
What is the SMILES notation for N-cyclopropyl-4-(oxan-3-ylmethylamino)benzamide?
The canonical SMILES for N-cyclopropyl-4-(oxan-3-ylmethylamino)benzamide is O=C(NC1CC1)c1ccc(NCC2CCCOC2)cc1.
What is the InChIKey of N-cyclopropyl-4-(oxan-3-ylmethylamino)benzamide?
The InChIKey is IAVNGHBBYIAZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-16(18-15-7-8-15)13-3-5-14(6-4-13)17-10-12-2-1-9-20-11-12/h3-6,12,15,17H,1-2,7-11H2,(H,18,19).
What are the key properties of N-cyclopropyl-4-(oxan-3-ylmethylamino)benzamide?
N-cyclopropyl-4-(oxan-3-ylmethylamino)benzamide has a molecular weight of 274.36 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(oxan-3-ylmethylamino)benzamide is sourced from PubChem (CID 63737546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).