2-amino-5-methyl-N-(2,4,4-trimethylpentan-2-yl)benzamide

C16H26N2O — CID 62509238

IUPAC2-amino-5-methyl-N-(2,4,4-trimethylpentan-2-yl)benzamide
SMILESCc1ccc(N)c(C(=O)NC(C)(C)CC(C)(C)C)c1
InChIInChI=1S/C16H26N2O/c1-11-7-8-13(17)12(9-11)14(19)18-16(5,6)10-15(2,3)4/h7-9H,10,17H2,1-6H3,(H,18,19)
InChIKeyPLAJGJBWKSSPCW-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.52
Rot. Bonds3

About 2-amino-5-methyl-N-(2,4,4-trimethylpentan-2-yl)benzamide

2-amino-5-methyl-N-(2,4,4-trimethylpentan-2-yl)benzamide (PubChem CID 62509238) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-amino-5-methyl-N-(2,4,4-trimethylpentan-2-yl)benzamide.

Molecular Properties

Compound Name2-amino-5-methyl-N-(2,4,4-trimethylpentan-2-yl)benzamide
PubChem CID62509238
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-amino-5-methyl-N-(2,4,4-trimethylpentan-2-yl)benzamide
SMILESCc1ccc(N)c(C(=O)NC(C)(C)CC(C)(C)C)c1
InChIInChI=1S/C16H26N2O/c1-11-7-8-13(17)12(9-11)14(19)18-16(5,6)10-15(2,3)4/h7-9H,10,17H2,1-6H3,(H,18,19)
InChIKeyPLAJGJBWKSSPCW-UHFFFAOYSA-N
XLogP3.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.52
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

4-amino-3-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 62682424
2-bromo-N-(1-bromo-2-methylpropan-2-yl)-5-methylbenzamide
CID 114308205
N-(1-amino-2-methylpropan-2-yl)-2,5-dimethylbenzamide;hydrochloride
CID 119523285
2-amino-N-methoxy-5-methylbenzamide
CID 64974828
2-amino-N-ethoxy-5-methylbenzamide
CID 64974666
2-amino-N-(4-tert-butylphenyl)-5-methylbenzamide
CID 62059196
2-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-5-methylbenzamide
CID 106274732
2-amino-5-bromo-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide
CID 55041629
2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 54943331
N-(1-bromo-2-methylpropan-2-yl)-2,4-dimethylbenzamide
CID 114307956
2-amino-5-methyl-N-(2-methylpropyl)benzamide
CID 62074325
2-amino-5-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 62523939

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methyl-N-(2,4,4-trimethylpentan-2-yl)benzamide?
The IUPAC name of 2-amino-5-methyl-N-(2,4,4-trimethylpentan-2-yl)benzamide (CID 62509238) is 2-amino-5-methyl-N-(2,4,4-trimethylpentan-2-yl)benzamide.
What is the SMILES notation for 2-amino-5-methyl-N-(2,4,4-trimethylpentan-2-yl)benzamide?
The canonical SMILES for 2-amino-5-methyl-N-(2,4,4-trimethylpentan-2-yl)benzamide is Cc1ccc(N)c(C(=O)NC(C)(C)CC(C)(C)C)c1.
What is the InChIKey of 2-amino-5-methyl-N-(2,4,4-trimethylpentan-2-yl)benzamide?
The InChIKey is PLAJGJBWKSSPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11-7-8-13(17)12(9-11)14(19)18-16(5,6)10-15(2,3)4/h7-9H,10,17H2,1-6H3,(H,18,19).
What are the key properties of 2-amino-5-methyl-N-(2,4,4-trimethylpentan-2-yl)benzamide?
2-amino-5-methyl-N-(2,4,4-trimethylpentan-2-yl)benzamide has a molecular weight of 262.40 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methyl-N-(2,4,4-trimethylpentan-2-yl)benzamide is sourced from PubChem (CID 62509238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).