4-amino-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide

C14H22N2O — CID 60939876

IUPAC4-amino-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide
SMILESCC(N(C)C(=O)c1ccc(N)cc1)C(C)(C)C
InChIInChI=1S/C14H22N2O/c1-10(14(2,3)4)16(5)13(17)11-6-8-12(15)9-7-11/h6-10H,15H2,1-5H3
InChIKeyRJICZFHNVNPJHF-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.78
Rot. Bonds2

About 4-amino-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide

4-amino-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide (PubChem CID 60939876) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-amino-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide
PubChem CID60939876
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-amino-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide
SMILESCC(N(C)C(=O)c1ccc(N)cc1)C(C)(C)C
InChIInChI=1S/C14H22N2O/c1-10(14(2,3)4)16(5)13(17)11-6-8-12(15)9-7-11/h6-10H,15H2,1-5H3
InChIKeyRJICZFHNVNPJHF-UHFFFAOYSA-N
XLogP2.78
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3,3-dimethylbutan-2-yl)-N-methyl-4-methylsulfonylbenzamide
CID 42951899
3-amino-N-(3,3-dimethylbutan-2-yl)-4-fluoro-N-methylbenzamide
CID 61107619
4-amino-N-butan-2-yl-N-methylbenzamide
CID 43272431
5-amino-2-(dimethylamino)-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide
CID 61106135
N-(3,3-dimethylbutan-2-yl)-3,5-dihydroxy-N-methylbenzamide
CID 104938816
3-(2-aminoethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide
CID 55091096
N-(3,3-dimethylbutan-2-yl)-6-(ethylamino)-N-methylpyridine-3-carboxamide
CID 62180470
2-amino-N-(3,3-dimethylbutan-2-yl)-5-fluoro-N-methylbenzamide
CID 60939640
5-amino-N-(3,3-dimethylbutan-2-yl)-N,2-dimethylpyridine-3-carboxamide
CID 61105565
4-amino-N-(3-amino-4-methylpentyl)-N-methylbenzamide
CID 122080936
4-amino-N-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 82092609
4-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79470906

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide?
The IUPAC name of 4-amino-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide (CID 60939876) is 4-amino-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide.
What is the SMILES notation for 4-amino-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide?
The canonical SMILES for 4-amino-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide is CC(N(C)C(=O)c1ccc(N)cc1)C(C)(C)C.
What is the InChIKey of 4-amino-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide?
The InChIKey is RJICZFHNVNPJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10(14(2,3)4)16(5)13(17)11-6-8-12(15)9-7-11/h6-10H,15H2,1-5H3.
What are the key properties of 4-amino-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide?
4-amino-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide has a molecular weight of 234.34 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide is sourced from PubChem (CID 60939876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).