N-[4-[butyl(methyl)amino]phenyl]-2-methylbenzamide

C19H24N2O — CID 112985297

IUPACN-[4-[butyl(methyl)amino]phenyl]-2-methylbenzamide
SMILESCCCCN(C)c1ccc(NC(=O)c2ccccc2C)cc1
InChIInChI=1S/C19H24N2O/c1-4-5-14-21(3)17-12-10-16(11-13-17)20-19(22)18-9-7-6-8-15(18)2/h6-13H,4-5,14H2,1-3H3,(H,20,22)
InChIKeyRSEJDOSQEAKSHD-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.48
Rot. Bonds6

About N-[4-[butyl(methyl)amino]phenyl]-2-methylbenzamide

N-[4-[butyl(methyl)amino]phenyl]-2-methylbenzamide (PubChem CID 112985297) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is N-[4-[butyl(methyl)amino]phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-[butyl(methyl)amino]phenyl]-2-methylbenzamide
PubChem CID112985297
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC NameN-[4-[butyl(methyl)amino]phenyl]-2-methylbenzamide
SMILESCCCCN(C)c1ccc(NC(=O)c2ccccc2C)cc1
InChIInChI=1S/C19H24N2O/c1-4-5-14-21(3)17-12-10-16(11-13-17)20-19(22)18-9-7-6-8-15(18)2/h6-13H,4-5,14H2,1-3H3,(H,20,22)
InChIKeyRSEJDOSQEAKSHD-UHFFFAOYSA-N
XLogP4.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[butyl(methyl)amino]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 53093984
2-methyl-N-(4-sulfanylphenyl)benzamide
CID 143459352
N-[4-(butylsulfamoyl)phenyl]-2-methylbenzamide
CID 4278982
N-[4-[2-(dimethylamino)acetyl]phenyl]-2-methylbenzamide
CID 170896427
N-[4-(hexanoylcarbamothioylamino)phenyl]-2-methylbenzamide
CID 17251791
2-[butyl(ethyl)amino]-5-[(2-methylbenzoyl)amino]benzoic acid
CID 50807321
N-[4-(dimethylamino)phenyl]-2-hydroxy-3-methylbenzamide
CID 43405605
N-[4-(ethylcarbamoyl)phenyl]-2-methylbenzamide
CID 17234252
N-(4-ethoxyphenyl)-2-methylbenzamide
CID 710558
N-[4-[ethyl(phenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 1243669
4-[(2-methylbenzoyl)amino]benzoic acid
CID 11615814
N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-2-methylbenzamide
CID 46760313

Frequently Asked Questions

What is the IUPAC name of N-[4-[butyl(methyl)amino]phenyl]-2-methylbenzamide?
The IUPAC name of N-[4-[butyl(methyl)amino]phenyl]-2-methylbenzamide (CID 112985297) is N-[4-[butyl(methyl)amino]phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[4-[butyl(methyl)amino]phenyl]-2-methylbenzamide?
The canonical SMILES for N-[4-[butyl(methyl)amino]phenyl]-2-methylbenzamide is CCCCN(C)c1ccc(NC(=O)c2ccccc2C)cc1.
What is the InChIKey of N-[4-[butyl(methyl)amino]phenyl]-2-methylbenzamide?
The InChIKey is RSEJDOSQEAKSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-4-5-14-21(3)17-12-10-16(11-13-17)20-19(22)18-9-7-6-8-15(18)2/h6-13H,4-5,14H2,1-3H3,(H,20,22).
What are the key properties of N-[4-[butyl(methyl)amino]phenyl]-2-methylbenzamide?
N-[4-[butyl(methyl)amino]phenyl]-2-methylbenzamide has a molecular weight of 296.41 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[butyl(methyl)amino]phenyl]-2-methylbenzamide is sourced from PubChem (CID 112985297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).