N-[[(3R)-oxan-3-yl]methyl]-3-(propan-2-ylamino)benzamide

C16H24N2O2 — CID 99806943

IUPACN-[[(3R)-oxan-3-yl]methyl]-3-(propan-2-ylamino)benzamide
SMILESCC(C)Nc1cccc(C(=O)NC[C@H]2CCCOC2)c1
InChIInChI=1S/C16H24N2O2/c1-12(2)18-15-7-3-6-14(9-15)16(19)17-10-13-5-4-8-20-11-13/h3,6-7,9,12-13,18H,4-5,8,10-11H2,1-2H3,(H,17,19)/t13-/m1/s1
InChIKeyBZAVHBXDTDEKNV-CYBMUJFWSA-N
MW276.38 g/mol
LogP2.66
Rot. Bonds5

About N-[[(3R)-oxan-3-yl]methyl]-3-(propan-2-ylamino)benzamide

N-[[(3R)-oxan-3-yl]methyl]-3-(propan-2-ylamino)benzamide (PubChem CID 99806943) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[[(3R)-oxan-3-yl]methyl]-3-(propan-2-ylamino)benzamide.

Molecular Properties

Compound NameN-[[(3R)-oxan-3-yl]methyl]-3-(propan-2-ylamino)benzamide
PubChem CID99806943
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[[(3R)-oxan-3-yl]methyl]-3-(propan-2-ylamino)benzamide
SMILESCC(C)Nc1cccc(C(=O)NC[C@H]2CCCOC2)c1
InChIInChI=1S/C16H24N2O2/c1-12(2)18-15-7-3-6-14(9-15)16(19)17-10-13-5-4-8-20-11-13/h3,6-7,9,12-13,18H,4-5,8,10-11H2,1-2H3,(H,17,19)/t13-/m1/s1
InChIKeyBZAVHBXDTDEKNV-CYBMUJFWSA-N
XLogP2.66
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-methyl-N-(oxan-3-ylmethyl)benzamide
CID 79466570
4-(ethylamino)-N-(oxan-3-ylmethyl)benzamide
CID 62175319
4-hydrazinyl-N-(oxan-3-ylmethyl)benzamide
CID 62247297
3-(dimethylamino)-N-(oxolan-3-ylmethyl)benzamide
CID 47179453
3-hydroxy-4-methoxy-N-(oxan-3-ylmethyl)benzamide
CID 79672650
2-chloro-N-(oxan-3-ylmethyl)pyridine-4-carboxamide
CID 47298877
3,4,5-trifluoro-N-(oxan-3-ylmethyl)benzamide
CID 55159260
2-(difluoromethyl)-N-(oxan-3-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 138998345
2-hydroxy-3-methyl-N-(oxan-3-ylmethyl)benzamide
CID 61073826
5-bromo-N-(oxan-3-ylmethyl)thiophene-3-carboxamide
CID 61019351
1-[3-(4-methylpiperidine-1-carbonyl)phenyl]-3-(oxan-3-ylmethyl)urea
CID 118776151
3-methyl-N-(2-methylpropyl)-4-(oxan-3-ylmethylamino)benzamide
CID 132970891

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-oxan-3-yl]methyl]-3-(propan-2-ylamino)benzamide?
The IUPAC name of N-[[(3R)-oxan-3-yl]methyl]-3-(propan-2-ylamino)benzamide (CID 99806943) is N-[[(3R)-oxan-3-yl]methyl]-3-(propan-2-ylamino)benzamide.
What is the SMILES notation for N-[[(3R)-oxan-3-yl]methyl]-3-(propan-2-ylamino)benzamide?
The canonical SMILES for N-[[(3R)-oxan-3-yl]methyl]-3-(propan-2-ylamino)benzamide is CC(C)Nc1cccc(C(=O)NC[C@H]2CCCOC2)c1.
What is the InChIKey of N-[[(3R)-oxan-3-yl]methyl]-3-(propan-2-ylamino)benzamide?
The InChIKey is BZAVHBXDTDEKNV-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(2)18-15-7-3-6-14(9-15)16(19)17-10-13-5-4-8-20-11-13/h3,6-7,9,12-13,18H,4-5,8,10-11H2,1-2H3,(H,17,19)/t13-/m1/s1.
What are the key properties of N-[[(3R)-oxan-3-yl]methyl]-3-(propan-2-ylamino)benzamide?
N-[[(3R)-oxan-3-yl]methyl]-3-(propan-2-ylamino)benzamide has a molecular weight of 276.38 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-oxan-3-yl]methyl]-3-(propan-2-ylamino)benzamide is sourced from PubChem (CID 99806943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).