3-methyl-4-(propylamino)-N-(2,3,3-trimethylbutyl)benzamide

C18H30N2O — CID 83145027

IUPAC3-methyl-4-(propylamino)-N-(2,3,3-trimethylbutyl)benzamide
SMILESCCCNc1ccc(C(=O)NCC(C)C(C)(C)C)cc1C
InChIInChI=1S/C18H30N2O/c1-7-10-19-16-9-8-15(11-13(16)2)17(21)20-12-14(3)18(4,5)6/h8-9,11,14,19H,7,10,12H2,1-6H3,(H,20,21)
InChIKeyJBQVUVHPUKKGDG-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.23
Rot. Bonds6

About 3-methyl-4-(propylamino)-N-(2,3,3-trimethylbutyl)benzamide

3-methyl-4-(propylamino)-N-(2,3,3-trimethylbutyl)benzamide (PubChem CID 83145027) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 3-methyl-4-(propylamino)-N-(2,3,3-trimethylbutyl)benzamide.

Molecular Properties

Compound Name3-methyl-4-(propylamino)-N-(2,3,3-trimethylbutyl)benzamide
PubChem CID83145027
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name3-methyl-4-(propylamino)-N-(2,3,3-trimethylbutyl)benzamide
SMILESCCCNc1ccc(C(=O)NCC(C)C(C)(C)C)cc1C
InChIInChI=1S/C18H30N2O/c1-7-10-19-16-9-8-15(11-13(16)2)17(21)20-12-14(3)18(4,5)6/h8-9,11,14,19H,7,10,12H2,1-6H3,(H,20,21)
InChIKeyJBQVUVHPUKKGDG-UHFFFAOYSA-N
XLogP4.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-3-oxopropyl)-3-methyl-4-(propylamino)benzamide
CID 63210532
3-methyl-N-(2-methylsulfanylethyl)-4-(propylamino)benzamide
CID 63963366
3-methyl-N-(2-methylpropyl)-4-(3,4,4-trimethylpentanoylamino)benzamide
CID 86901347
N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-methyl-4-(propylamino)benzamide
CID 63213686
N-[2-(dimethylamino)propyl]-4-(ethylamino)-3-methylbenzamide
CID 63213540
3,6-dimethyl-2-(2,3,3-trimethylbutylcarbamoyl)benzoic acid
CID 103429237
N,3-dimethyl-N-(2-methylbutan-2-yl)-4-(propylamino)benzamide
CID 63963788
3-methyl-4-(propylamino)-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 63213934
4-amino-3-bromo-N-(2,3,3-trimethylbutyl)benzamide
CID 83143162
4-bromo-3-hydroxy-N-(2,3,3-trimethylbutyl)benzamide
CID 103873277
4-[(3-chloro-2-hydroxypropyl)amino]-3-methyl-N-(2-methylpropyl)benzamide
CID 168637114
3-methyl-N-(oxolan-3-ylmethyl)-4-(propylamino)benzamide
CID 63211762

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(propylamino)-N-(2,3,3-trimethylbutyl)benzamide?
The IUPAC name of 3-methyl-4-(propylamino)-N-(2,3,3-trimethylbutyl)benzamide (CID 83145027) is 3-methyl-4-(propylamino)-N-(2,3,3-trimethylbutyl)benzamide.
What is the SMILES notation for 3-methyl-4-(propylamino)-N-(2,3,3-trimethylbutyl)benzamide?
The canonical SMILES for 3-methyl-4-(propylamino)-N-(2,3,3-trimethylbutyl)benzamide is CCCNc1ccc(C(=O)NCC(C)C(C)(C)C)cc1C.
What is the InChIKey of 3-methyl-4-(propylamino)-N-(2,3,3-trimethylbutyl)benzamide?
The InChIKey is JBQVUVHPUKKGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-7-10-19-16-9-8-15(11-13(16)2)17(21)20-12-14(3)18(4,5)6/h8-9,11,14,19H,7,10,12H2,1-6H3,(H,20,21).
What are the key properties of 3-methyl-4-(propylamino)-N-(2,3,3-trimethylbutyl)benzamide?
3-methyl-4-(propylamino)-N-(2,3,3-trimethylbutyl)benzamide has a molecular weight of 290.45 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(propylamino)-N-(2,3,3-trimethylbutyl)benzamide is sourced from PubChem (CID 83145027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).