3-[[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]methyl]benzamide

C16H24N2O2 — CID 128993203

IUPAC3-[[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]methyl]benzamide
SMILESCC(C)[C@H]1OCC[C@@H]1CNCc1cccc(C(N)=O)c1
InChIInChI=1S/C16H24N2O2/c1-11(2)15-14(6-7-20-15)10-18-9-12-4-3-5-13(8-12)16(17)19/h3-5,8,11,14-15,18H,6-7,9-10H2,1-2H3,(H2,17,19)/t14-,15-/m1/s1
InChIKeyRKFYXUQVCHPWGL-HUUCEWRRSA-N
MW276.38 g/mol
LogP1.94
Rot. Bonds6

About 3-[[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]methyl]benzamide

3-[[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]methyl]benzamide (PubChem CID 128993203) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]methyl]benzamide.

Molecular Properties

Compound Name3-[[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]methyl]benzamide
PubChem CID128993203
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-[[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]methyl]benzamide
SMILESCC(C)[C@H]1OCC[C@@H]1CNCc1cccc(C(N)=O)c1
InChIInChI=1S/C16H24N2O2/c1-11(2)15-14(6-7-20-15)10-18-9-12-4-3-5-13(8-12)16(17)19/h3-5,8,11,14-15,18H,6-7,9-10H2,1-2H3,(H2,17,19)/t14-,15-/m1/s1
InChIKeyRKFYXUQVCHPWGL-HUUCEWRRSA-N
XLogP1.94
TPSA64.35 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 ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2-propan-2-yloxolan-3-yl)methylamino]methyl]benzoic acid
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3-[[(3-hydroxycyclohexyl)methylamino]methyl]benzamide
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1-[(3-nitrophenyl)methyl]-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 97079356
N-[(5-ethylfuran-2-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine
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Frequently Asked Questions

What is the IUPAC name of 3-[[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]methyl]benzamide?
The IUPAC name of 3-[[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]methyl]benzamide (CID 128993203) is 3-[[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]methyl]benzamide.
What is the SMILES notation for 3-[[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]methyl]benzamide?
The canonical SMILES for 3-[[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]methyl]benzamide is CC(C)[C@H]1OCC[C@@H]1CNCc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]methyl]benzamide?
The InChIKey is RKFYXUQVCHPWGL-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11(2)15-14(6-7-20-15)10-18-9-12-4-3-5-13(8-12)16(17)19/h3-5,8,11,14-15,18H,6-7,9-10H2,1-2H3,(H2,17,19)/t14-,15-/m1/s1.
What are the key properties of 3-[[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]methyl]benzamide?
3-[[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]methyl]benzamide has a molecular weight of 276.38 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]methyl]benzamide is sourced from PubChem (CID 128993203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).