4-butyl-N-(4-methylphenyl)benzamide;prop-1-ene

C21H27NO — CID 142028227

IUPAC4-butyl-N-(4-methylphenyl)benzamide;prop-1-ene
SMILESC=CC.CCCCc1ccc(C(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C18H21NO.C3H6/c1-3-4-5-15-8-10-16(11-9-15)18(20)19-17-12-6-14(2)7-13-17;1-3-2/h6-13H,3-5H2,1-2H3,(H,19,20);3H,1H2,2H3
InChIKeyYIQWDGUHSYJHDD-UHFFFAOYSA-N
MW309.45 g/mol
LogP5.78
Rot. Bonds5

About 4-butyl-N-(4-methylphenyl)benzamide;prop-1-ene

4-butyl-N-(4-methylphenyl)benzamide;prop-1-ene (PubChem CID 142028227) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 4-butyl-N-(4-methylphenyl)benzamide;prop-1-ene.

Molecular Properties

Compound Name4-butyl-N-(4-methylphenyl)benzamide;prop-1-ene
PubChem CID142028227
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name4-butyl-N-(4-methylphenyl)benzamide;prop-1-ene
SMILESC=CC.CCCCc1ccc(C(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C18H21NO.C3H6/c1-3-4-5-15-8-10-16(11-9-15)18(20)19-17-12-6-14(2)7-13-17;1-3-2/h6-13H,3-5H2,1-2H3,(H,19,20);3H,1H2,2H3
InChIKeyYIQWDGUHSYJHDD-UHFFFAOYSA-N
XLogP5.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.45
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(4-butylphenyl)-4-(4-methylphenoxy)benzamide
CID 16651108
N-(4-methylphenyl)-4-(pentanoylamino)benzamide
CID 4630697
N-(4-ethylphenyl)-4-pentylbenzamide
CID 142206594
N-[4-(2-aminoethyl)phenyl]-4-methylbenzamide
CID 28754500
ethane;4-ethyl-N-(4-methylphenyl)benzamide
CID 143234775
N-(4-butylphenyl)-4-(4,4-dimethylpent-2-en-2-yl)benzamide
CID 72568774
4-methyl-N-[4-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 2330632
N-(4-butylphenyl)-4-hydroxy-3-methylbenzamide
CID 107676610
1-N-butyl-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109043732
N-(4-butylphenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide
CID 9075639
4-butyl-N-(3,4-dichlorophenyl)benzamide
CID 3618565
N-(4-butylphenyl)-4-(trifluoromethylsulfonylamino)benzamide
CID 20630469

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(4-methylphenyl)benzamide;prop-1-ene?
The IUPAC name of 4-butyl-N-(4-methylphenyl)benzamide;prop-1-ene (CID 142028227) is 4-butyl-N-(4-methylphenyl)benzamide;prop-1-ene.
What is the SMILES notation for 4-butyl-N-(4-methylphenyl)benzamide;prop-1-ene?
The canonical SMILES for 4-butyl-N-(4-methylphenyl)benzamide;prop-1-ene is C=CC.CCCCc1ccc(C(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of 4-butyl-N-(4-methylphenyl)benzamide;prop-1-ene?
The InChIKey is YIQWDGUHSYJHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO.C3H6/c1-3-4-5-15-8-10-16(11-9-15)18(20)19-17-12-6-14(2)7-13-17;1-3-2/h6-13H,3-5H2,1-2H3,(H,19,20);3H,1H2,2H3.
What are the key properties of 4-butyl-N-(4-methylphenyl)benzamide;prop-1-ene?
4-butyl-N-(4-methylphenyl)benzamide;prop-1-ene has a molecular weight of 309.45 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(4-methylphenyl)benzamide;prop-1-ene is sourced from PubChem (CID 142028227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).