5-amino-N-(2,2-dimethylbutyl)-2-methylbenzamide

C14H22N2O — CID 103459942

IUPAC5-amino-N-(2,2-dimethylbutyl)-2-methylbenzamide
SMILESCCC(C)(C)CNC(=O)c1cc(N)ccc1C
InChIInChI=1S/C14H22N2O/c1-5-14(3,4)9-16-13(17)12-8-11(15)7-6-10(12)2/h6-8H,5,9,15H2,1-4H3,(H,16,17)
InChIKeyXTSNCGCKEOFBJB-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.74
Rot. Bonds4

About 5-amino-N-(2,2-dimethylbutyl)-2-methylbenzamide

5-amino-N-(2,2-dimethylbutyl)-2-methylbenzamide (PubChem CID 103459942) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 5-amino-N-(2,2-dimethylbutyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-(2,2-dimethylbutyl)-2-methylbenzamide
PubChem CID103459942
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name5-amino-N-(2,2-dimethylbutyl)-2-methylbenzamide
SMILESCCC(C)(C)CNC(=O)c1cc(N)ccc1C
InChIInChI=1S/C14H22N2O/c1-5-14(3,4)9-16-13(17)12-8-11(15)7-6-10(12)2/h6-8H,5,9,15H2,1-4H3,(H,16,17)
InChIKeyXTSNCGCKEOFBJB-UHFFFAOYSA-N
XLogP2.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide
CID 106139408
methyl 3-[(5-amino-2-methylbenzoyl)amino]-2,2-dimethylpropanoate
CID 120633675
5-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-methylbenzamide;hydrochloride
CID 120624182
2-amino-5-chloro-N-(2,2-dimethylbutyl)benzamide
CID 103459946
methyl 2-[(5-amino-2-methylbenzoyl)amino]acetate
CID 61291717
3-amino-N-(2,2-dimethylbutyl)benzamide
CID 103459945
5-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylbenzamide
CID 107864346
5-amino-N-(3-amino-3-oxopropyl)-2-methylbenzamide
CID 91141603
5-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide
CID 61166278
5-amino-N-(3-carbamoylpentan-3-yl)-2-methylbenzamide
CID 120629582
5-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-2-methylbenzamide;hydrochloride
CID 120630065
5-chloro-N-(3-chloro-2,2-dimethylpropyl)-2-methylbenzamide
CID 82890585

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,2-dimethylbutyl)-2-methylbenzamide?
The IUPAC name of 5-amino-N-(2,2-dimethylbutyl)-2-methylbenzamide (CID 103459942) is 5-amino-N-(2,2-dimethylbutyl)-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-(2,2-dimethylbutyl)-2-methylbenzamide?
The canonical SMILES for 5-amino-N-(2,2-dimethylbutyl)-2-methylbenzamide is CCC(C)(C)CNC(=O)c1cc(N)ccc1C.
What is the InChIKey of 5-amino-N-(2,2-dimethylbutyl)-2-methylbenzamide?
The InChIKey is XTSNCGCKEOFBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-5-14(3,4)9-16-13(17)12-8-11(15)7-6-10(12)2/h6-8H,5,9,15H2,1-4H3,(H,16,17).
What are the key properties of 5-amino-N-(2,2-dimethylbutyl)-2-methylbenzamide?
5-amino-N-(2,2-dimethylbutyl)-2-methylbenzamide has a molecular weight of 234.34 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,2-dimethylbutyl)-2-methylbenzamide is sourced from PubChem (CID 103459942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).