3-methyl-N-(2-methylpropyl)-4-(oxan-3-ylmethylamino)benzamide

C18H28N2O2 — CID 132970891

IUPAC3-methyl-N-(2-methylpropyl)-4-(oxan-3-ylmethylamino)benzamide
SMILESCc1cc(C(=O)NCC(C)C)ccc1NCC1CCCOC1
InChIInChI=1S/C18H28N2O2/c1-13(2)10-20-18(21)16-6-7-17(14(3)9-16)19-11-15-5-4-8-22-12-15/h6-7,9,13,15,19H,4-5,8,10-12H2,1-3H3,(H,20,21)
InChIKeyLRYYPXAPOILMML-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.22
Rot. Bonds6

About 3-methyl-N-(2-methylpropyl)-4-(oxan-3-ylmethylamino)benzamide

3-methyl-N-(2-methylpropyl)-4-(oxan-3-ylmethylamino)benzamide (PubChem CID 132970891) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 3-methyl-N-(2-methylpropyl)-4-(oxan-3-ylmethylamino)benzamide.

Molecular Properties

Compound Name3-methyl-N-(2-methylpropyl)-4-(oxan-3-ylmethylamino)benzamide
PubChem CID132970891
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name3-methyl-N-(2-methylpropyl)-4-(oxan-3-ylmethylamino)benzamide
SMILESCc1cc(C(=O)NCC(C)C)ccc1NCC1CCCOC1
InChIInChI=1S/C18H28N2O2/c1-13(2)10-20-18(21)16-6-7-17(14(3)9-16)19-11-15-5-4-8-22-12-15/h6-7,9,13,15,19H,4-5,8,10-12H2,1-3H3,(H,20,21)
InChIKeyLRYYPXAPOILMML-UHFFFAOYSA-N
XLogP3.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(oxolan-3-ylmethyl)-4-(propylamino)benzamide
CID 63211762
3-methyl-4-(oxolan-3-ylmethylamino)benzamide
CID 43706987
3-bromo-4-methyl-N-(oxan-3-ylmethyl)benzamide
CID 79466570
4-[(4-aminocyclohexyl)methylamino]-3-methyl-N-propan-2-ylbenzamide
CID 59549618
N-[[(3R)-oxan-3-yl]methyl]-3-(propan-2-ylamino)benzamide
CID 99806943
4-[(3-chloro-2-hydroxypropyl)amino]-3-methyl-N-(2-methylpropyl)benzamide
CID 168637114
2,5-dimethyl-4-(oxan-3-ylmethylamino)phenol
CID 106953820
N-ethyl-3-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 62657161
4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-3-methyl-N-propan-2-ylbenzamide
CID 59231550
3-methyl-4-(3-methylbutanoylamino)-N-(oxan-3-yl)benzamide
CID 75422339
4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methyl-N-(2-methylpropyl)benzamide
CID 47088144
4-(ethylamino)-N-(oxan-3-ylmethyl)benzamide
CID 62175319

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylpropyl)-4-(oxan-3-ylmethylamino)benzamide?
The IUPAC name of 3-methyl-N-(2-methylpropyl)-4-(oxan-3-ylmethylamino)benzamide (CID 132970891) is 3-methyl-N-(2-methylpropyl)-4-(oxan-3-ylmethylamino)benzamide.
What is the SMILES notation for 3-methyl-N-(2-methylpropyl)-4-(oxan-3-ylmethylamino)benzamide?
The canonical SMILES for 3-methyl-N-(2-methylpropyl)-4-(oxan-3-ylmethylamino)benzamide is Cc1cc(C(=O)NCC(C)C)ccc1NCC1CCCOC1.
What is the InChIKey of 3-methyl-N-(2-methylpropyl)-4-(oxan-3-ylmethylamino)benzamide?
The InChIKey is LRYYPXAPOILMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-13(2)10-20-18(21)16-6-7-17(14(3)9-16)19-11-15-5-4-8-22-12-15/h6-7,9,13,15,19H,4-5,8,10-12H2,1-3H3,(H,20,21).
What are the key properties of 3-methyl-N-(2-methylpropyl)-4-(oxan-3-ylmethylamino)benzamide?
3-methyl-N-(2-methylpropyl)-4-(oxan-3-ylmethylamino)benzamide has a molecular weight of 304.43 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylpropyl)-4-(oxan-3-ylmethylamino)benzamide is sourced from PubChem (CID 132970891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).