4-amino-N-(2-methoxypropyl)-2-methylbenzamide

C12H18N2O2 — CID 102694270

IUPAC4-amino-N-(2-methoxypropyl)-2-methylbenzamide
SMILESCOC(C)CNC(=O)c1ccc(N)cc1C
InChIInChI=1S/C12H18N2O2/c1-8-6-10(13)4-5-11(8)12(15)14-7-9(2)16-3/h4-6,9H,7,13H2,1-3H3,(H,14,15)
InChIKeyGAHPOZGSZISUEF-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.34
Rot. Bonds4

About 4-amino-N-(2-methoxypropyl)-2-methylbenzamide

4-amino-N-(2-methoxypropyl)-2-methylbenzamide (PubChem CID 102694270) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-amino-N-(2-methoxypropyl)-2-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-(2-methoxypropyl)-2-methylbenzamide
PubChem CID102694270
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name4-amino-N-(2-methoxypropyl)-2-methylbenzamide
SMILESCOC(C)CNC(=O)c1ccc(N)cc1C
InChIInChI=1S/C12H18N2O2/c1-8-6-10(13)4-5-11(8)12(15)14-7-9(2)16-3/h4-6,9H,7,13H2,1-3H3,(H,14,15)
InChIKeyGAHPOZGSZISUEF-UHFFFAOYSA-N
XLogP1.34
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-fluoro-N-(2-methoxypropyl)benzamide
CID 102694265
4-hydrazinyl-N-(2-methoxypropyl)-2-methylbenzamide
CID 102700668
5-amino-2-(dimethylamino)-N-(2-methoxypropyl)benzamide
CID 102694296
3-amino-N-(2-methoxypropyl)naphthalene-2-carboxamide
CID 102694900
4-amino-N-[2-(carbamoylamino)ethyl]-2-methylbenzamide
CID 83108050
5-amino-N-(2-methoxypropyl)-1-benzothiophene-2-carboxamide
CID 102694291
4-fluoro-2-hydroxy-N-(2-methoxypropyl)benzamide
CID 102737733
4-amino-N-[2-(2-methoxypropylamino)-2-oxoethyl]benzamide
CID 102695091
5-amino-2-methyl-N-[2-(2-methylphenoxy)propyl]benzamide
CID 120636277
2,5-dichloro-N-(2-methoxypropyl)benzamide
CID 101005301
2,5-dihydroxy-N-(2-methoxypropyl)benzamide
CID 107723939
2-amino-3-methoxy-N-(2-methoxypropyl)benzamide
CID 102694295

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methoxypropyl)-2-methylbenzamide?
The IUPAC name of 4-amino-N-(2-methoxypropyl)-2-methylbenzamide (CID 102694270) is 4-amino-N-(2-methoxypropyl)-2-methylbenzamide.
What is the SMILES notation for 4-amino-N-(2-methoxypropyl)-2-methylbenzamide?
The canonical SMILES for 4-amino-N-(2-methoxypropyl)-2-methylbenzamide is COC(C)CNC(=O)c1ccc(N)cc1C.
What is the InChIKey of 4-amino-N-(2-methoxypropyl)-2-methylbenzamide?
The InChIKey is GAHPOZGSZISUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-6-10(13)4-5-11(8)12(15)14-7-9(2)16-3/h4-6,9H,7,13H2,1-3H3,(H,14,15).
What are the key properties of 4-amino-N-(2-methoxypropyl)-2-methylbenzamide?
4-amino-N-(2-methoxypropyl)-2-methylbenzamide has a molecular weight of 222.29 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methoxypropyl)-2-methylbenzamide is sourced from PubChem (CID 102694270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).