3-amino-N-(2-methoxy-2-methylpropyl)benzamide

C12H18N2O2 — CID 115739688

IUPAC3-amino-N-(2-methoxy-2-methylpropyl)benzamide
SMILESCOC(C)(C)CNC(=O)c1cccc(N)c1
InChIInChI=1S/C12H18N2O2/c1-12(2,16-3)8-14-11(15)9-5-4-6-10(13)7-9/h4-7H,8,13H2,1-3H3,(H,14,15)
InChIKeyPBQPAHOSVGWPOQ-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.42
Rot. Bonds4

About 3-amino-N-(2-methoxy-2-methylpropyl)benzamide

3-amino-N-(2-methoxy-2-methylpropyl)benzamide (PubChem CID 115739688) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-amino-N-(2-methoxy-2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-amino-N-(2-methoxy-2-methylpropyl)benzamide
PubChem CID115739688
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-amino-N-(2-methoxy-2-methylpropyl)benzamide
SMILESCOC(C)(C)CNC(=O)c1cccc(N)c1
InChIInChI=1S/C12H18N2O2/c1-12(2,16-3)8-14-11(15)9-5-4-6-10(13)7-9/h4-7H,8,13H2,1-3H3,(H,14,15)
InChIKeyPBQPAHOSVGWPOQ-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
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

3-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 106249245
3-[(3-aminobenzoyl)amino]-2,2-dimethylpropanoic acid
CID 115427957
3-amino-N-(2,2-dimethylbutyl)benzamide
CID 103459945
3-amino-N-(2,2-dimethyl-3-phenylpropyl)benzamide
CID 119794357
3-amino-N-[2-(dimethylamino)-2-methylpropyl]benzamide;dihydrochloride
CID 119830617
3-amino-5-chloro-N-(2-methoxy-2-methylpropyl)benzamide
CID 113449800
3-amino-4-chloro-N-(2-methoxy-2-methylpropyl)benzamide
CID 104758273
tert-butyl 2-[(3-aminobenzoyl)amino]acetate
CID 20745560
4-amino-3,5-difluoro-N-(2-methoxy-2-methylpropyl)benzamide
CID 104765666
3-amino-N-[2-methyl-2-(2-methylphenyl)propyl]benzamide;hydrochloride
CID 119756892
3-amino-N-[2-(2,2-dimethylpropanoylamino)ethyl]benzamide
CID 119763189
3-amino-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide
CID 119771428

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methoxy-2-methylpropyl)benzamide?
The IUPAC name of 3-amino-N-(2-methoxy-2-methylpropyl)benzamide (CID 115739688) is 3-amino-N-(2-methoxy-2-methylpropyl)benzamide.
What is the SMILES notation for 3-amino-N-(2-methoxy-2-methylpropyl)benzamide?
The canonical SMILES for 3-amino-N-(2-methoxy-2-methylpropyl)benzamide is COC(C)(C)CNC(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-(2-methoxy-2-methylpropyl)benzamide?
The InChIKey is PBQPAHOSVGWPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-12(2,16-3)8-14-11(15)9-5-4-6-10(13)7-9/h4-7H,8,13H2,1-3H3,(H,14,15).
What are the key properties of 3-amino-N-(2-methoxy-2-methylpropyl)benzamide?
3-amino-N-(2-methoxy-2-methylpropyl)benzamide has a molecular weight of 222.29 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methoxy-2-methylpropyl)benzamide is sourced from PubChem (CID 115739688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).