3-amino-2-methyl-N-(2,3,3-trimethylbutyl)benzamide

C15H24N2O — CID 83142819

IUPAC3-amino-2-methyl-N-(2,3,3-trimethylbutyl)benzamide
SMILESCc1c(N)cccc1C(=O)NCC(C)C(C)(C)C
InChIInChI=1S/C15H24N2O/c1-10(15(3,4)5)9-17-14(18)12-7-6-8-13(16)11(12)2/h6-8,10H,9,16H2,1-5H3,(H,17,18)
InChIKeyBMTUWNDVEGNKHV-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.99
Rot. Bonds3

About 3-amino-2-methyl-N-(2,3,3-trimethylbutyl)benzamide

3-amino-2-methyl-N-(2,3,3-trimethylbutyl)benzamide (PubChem CID 83142819) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-amino-2-methyl-N-(2,3,3-trimethylbutyl)benzamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-(2,3,3-trimethylbutyl)benzamide
PubChem CID83142819
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-amino-2-methyl-N-(2,3,3-trimethylbutyl)benzamide
SMILESCc1c(N)cccc1C(=O)NCC(C)C(C)(C)C
InChIInChI=1S/C15H24N2O/c1-10(15(3,4)5)9-17-14(18)12-7-6-8-13(16)11(12)2/h6-8,10H,9,16H2,1-5H3,(H,17,18)
InChIKeyBMTUWNDVEGNKHV-UHFFFAOYSA-N
XLogP2.99
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.99
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

3-amino-N-(4-hydroxy-2-methylbutyl)-2-methylbenzamide
CID 66091959
3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-methylbenzamide
CID 78984760
ethyl 2-[(3-amino-2-methylbenzoyl)amino]acetate
CID 60812497
3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-2-methylbenzamide
CID 18070893
3-amino-2-methyl-N-(2-propan-2-yloxyethyl)benzamide
CID 113449772
(2R)-2-[(3-amino-2-methylbenzoyl)amino]-3,3-dimethylbutanoic acid
CID 103927250
2,6-dihydroxy-N-(2,3,3-trimethylbutyl)benzamide
CID 113346830
3-amino-2-methyl-N-prop-2-enylbenzamide
CID 28723067
3-amino-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 43310303
3-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 78985192
3-amino-2-methyl-N-(4-methylpentan-2-yl)benzamide
CID 43371726
4-amino-2-fluoro-N-(2,3,3-trimethylbutyl)benzamide
CID 83142817

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-(2,3,3-trimethylbutyl)benzamide?
The IUPAC name of 3-amino-2-methyl-N-(2,3,3-trimethylbutyl)benzamide (CID 83142819) is 3-amino-2-methyl-N-(2,3,3-trimethylbutyl)benzamide.
What is the SMILES notation for 3-amino-2-methyl-N-(2,3,3-trimethylbutyl)benzamide?
The canonical SMILES for 3-amino-2-methyl-N-(2,3,3-trimethylbutyl)benzamide is Cc1c(N)cccc1C(=O)NCC(C)C(C)(C)C.
What is the InChIKey of 3-amino-2-methyl-N-(2,3,3-trimethylbutyl)benzamide?
The InChIKey is BMTUWNDVEGNKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-10(15(3,4)5)9-17-14(18)12-7-6-8-13(16)11(12)2/h6-8,10H,9,16H2,1-5H3,(H,17,18).
What are the key properties of 3-amino-2-methyl-N-(2,3,3-trimethylbutyl)benzamide?
3-amino-2-methyl-N-(2,3,3-trimethylbutyl)benzamide has a molecular weight of 248.37 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-(2,3,3-trimethylbutyl)benzamide is sourced from PubChem (CID 83142819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).