2-amino-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylbenzamide

C14H20N2O3 — CID 104758367

IUPAC2-amino-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylbenzamide
SMILESCOC1(CNC(=O)c2cc(C)ccc2N)CCOC1
InChIInChI=1S/C14H20N2O3/c1-10-3-4-12(15)11(7-10)13(17)16-8-14(18-2)5-6-19-9-14/h3-4,7H,5-6,8-9,15H2,1-2H3,(H,16,17)
InChIKeyKYLIACJLJBFTJD-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.11
Rot. Bonds4

About 2-amino-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylbenzamide

2-amino-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylbenzamide (PubChem CID 104758367) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-amino-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylbenzamide
PubChem CID104758367
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-amino-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylbenzamide
SMILESCOC1(CNC(=O)c2cc(C)ccc2N)CCOC1
InChIInChI=1S/C14H20N2O3/c1-10-3-4-12(15)11(7-10)13(17)16-8-14(18-2)5-6-19-9-14/h3-4,7H,5-6,8-9,15H2,1-2H3,(H,16,17)
InChIKeyKYLIACJLJBFTJD-UHFFFAOYSA-N
XLogP1.11
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
CID 104758342
3-amino-2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
CID 104758375
2-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-carboxamide
CID 104765747
3-amino-2-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
CID 104758296
3-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-2-carboxamide
CID 104761387
5-chloro-2-hydroxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
CID 104708991
2-amino-N-[(1-hydroxycyclopentyl)methyl]-5-methylbenzamide
CID 65106081
3-amino-5-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
CID 104758337
3-bromo-4-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
CID 104709027
4-amino-N-[(3-methoxyoxolan-3-yl)methyl]-1-methylpyrazole-5-carboxamide
CID 104758335
(3-methoxyoxolan-3-yl)methylurea
CID 104704481
1-(3-aminophenyl)-3-[(3-methoxyoxolan-3-yl)methyl]urea
CID 104762349

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylbenzamide?
The IUPAC name of 2-amino-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylbenzamide (CID 104758367) is 2-amino-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylbenzamide.
What is the SMILES notation for 2-amino-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylbenzamide?
The canonical SMILES for 2-amino-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylbenzamide is COC1(CNC(=O)c2cc(C)ccc2N)CCOC1.
What is the InChIKey of 2-amino-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylbenzamide?
The InChIKey is KYLIACJLJBFTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-3-4-12(15)11(7-10)13(17)16-8-14(18-2)5-6-19-9-14/h3-4,7H,5-6,8-9,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylbenzamide?
2-amino-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylbenzamide has a molecular weight of 264.32 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylbenzamide is sourced from PubChem (CID 104758367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).