3-(methylamino)-N-(2,2,4-trimethylpentyl)benzamide

C16H26N2O — CID 115160955

IUPAC3-(methylamino)-N-(2,2,4-trimethylpentyl)benzamide
SMILESCNc1cccc(C(=O)NCC(C)(C)CC(C)C)c1
InChIInChI=1S/C16H26N2O/c1-12(2)10-16(3,4)11-18-15(19)13-7-6-8-14(9-13)17-5/h6-9,12,17H,10-11H2,1-5H3,(H,18,19)
InChIKeyOPGSTTRFAIJJJL-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.53
Rot. Bonds6

About 3-(methylamino)-N-(2,2,4-trimethylpentyl)benzamide

3-(methylamino)-N-(2,2,4-trimethylpentyl)benzamide (PubChem CID 115160955) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-(methylamino)-N-(2,2,4-trimethylpentyl)benzamide.

Molecular Properties

Compound Name3-(methylamino)-N-(2,2,4-trimethylpentyl)benzamide
PubChem CID115160955
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-(methylamino)-N-(2,2,4-trimethylpentyl)benzamide
SMILESCNc1cccc(C(=O)NCC(C)(C)CC(C)C)c1
InChIInChI=1S/C16H26N2O/c1-12(2)10-16(3,4)11-18-15(19)13-7-6-8-14(9-13)17-5/h6-9,12,17H,10-11H2,1-5H3,(H,18,19)
InChIKeyOPGSTTRFAIJJJL-UHFFFAOYSA-N
XLogP3.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-N-(2,2,4-trimethylpentyl)benzamide
CID 115161209
3-bromo-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 66179359
2-cyano-N-(2,2,4-trimethylpentyl)pyridine-4-carboxamide
CID 115115941
N-(4-hydroxy-2,2-dimethylpentyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 111480659
3-fluoro-N-[3-[(3-fluorobenzoyl)amino]-2,2-dimethylpropyl]benzamide
CID 2168496
N-ethyl-3-(2-methylpropylamino)benzamide
CID 43680721
N-(3-amino-2,2-dimethylpropyl)-3-bromobenzamide
CID 115267254
2-phenyl-N-(2,2,4-trimethylpentyl)acetamide
CID 165399012
3-(2,2,4-trimethylpentanoylamino)benzoic acid
CID 120686917
N-(4-hydroxy-2,2-dimethylpentyl)quinoline-6-carboxamide
CID 111480649
3-(methylamino)benzoic acid;hydrochloride
CID 55250935
N-(3-chloro-2,2-dimethylpropyl)-3-hydroxybenzamide
CID 115364515

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-(2,2,4-trimethylpentyl)benzamide?
The IUPAC name of 3-(methylamino)-N-(2,2,4-trimethylpentyl)benzamide (CID 115160955) is 3-(methylamino)-N-(2,2,4-trimethylpentyl)benzamide.
What is the SMILES notation for 3-(methylamino)-N-(2,2,4-trimethylpentyl)benzamide?
The canonical SMILES for 3-(methylamino)-N-(2,2,4-trimethylpentyl)benzamide is CNc1cccc(C(=O)NCC(C)(C)CC(C)C)c1.
What is the InChIKey of 3-(methylamino)-N-(2,2,4-trimethylpentyl)benzamide?
The InChIKey is OPGSTTRFAIJJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(2)10-16(3,4)11-18-15(19)13-7-6-8-14(9-13)17-5/h6-9,12,17H,10-11H2,1-5H3,(H,18,19).
What are the key properties of 3-(methylamino)-N-(2,2,4-trimethylpentyl)benzamide?
3-(methylamino)-N-(2,2,4-trimethylpentyl)benzamide has a molecular weight of 262.40 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-(2,2,4-trimethylpentyl)benzamide is sourced from PubChem (CID 115160955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).