4-(4-butylphenoxy)-N,N-dimethylbenzamide

C19H23NO2 — CID 146305996

IUPAC4-(4-butylphenoxy)-N,N-dimethylbenzamide
SMILESCCCCc1ccc(Oc2ccc(C(=O)N(C)C)cc2)cc1
InChIInChI=1S/C19H23NO2/c1-4-5-6-15-7-11-17(12-8-15)22-18-13-9-16(10-14-18)19(21)20(2)3/h7-14H,4-6H2,1-3H3
InChIKeySFVGWJUPQQLVPD-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.52
Rot. Bonds6

About 4-(4-butylphenoxy)-N,N-dimethylbenzamide

4-(4-butylphenoxy)-N,N-dimethylbenzamide (PubChem CID 146305996) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-(4-butylphenoxy)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-(4-butylphenoxy)-N,N-dimethylbenzamide
PubChem CID146305996
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name4-(4-butylphenoxy)-N,N-dimethylbenzamide
SMILESCCCCc1ccc(Oc2ccc(C(=O)N(C)C)cc2)cc1
InChIInChI=1S/C19H23NO2/c1-4-5-6-15-7-11-17(12-8-15)22-18-13-9-16(10-14-18)19(21)20(2)3/h7-14H,4-6H2,1-3H3
InChIKeySFVGWJUPQQLVPD-UHFFFAOYSA-N
XLogP4.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[[2-(4-butylphenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide
CID 46422120
bis[4-(4-hexylphenoxy)phenyl]methanone
CID 139804555
4-butyl-N,N-diethylbenzamide
CID 60675001
methyl 4-(4-pentylphenoxy)benzoate
CID 142415116
bis(4-butylphenyl) benzene-1,4-dicarboxylate
CID 624550
N,N-dimethyl-4-(4-oxopentyl)benzamide
CID 10988164
ethyl 4-(4-hexylphenoxy)benzoate
CID 142414889
4-butyl-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 113343131
1-tetracosyl-4-(4-tetracosylphenoxy)benzene
CID 57157299
N-(4-butylphenyl)-4-(4-methylphenoxy)benzamide
CID 16651108
4-(3-aminopropyl)-N,N-dimethylbenzamide;oxalic acid
CID 70523631
4-(4-butylphenoxy)benzaldehyde
CID 10824839

Frequently Asked Questions

What is the IUPAC name of 4-(4-butylphenoxy)-N,N-dimethylbenzamide?
The IUPAC name of 4-(4-butylphenoxy)-N,N-dimethylbenzamide (CID 146305996) is 4-(4-butylphenoxy)-N,N-dimethylbenzamide.
What is the SMILES notation for 4-(4-butylphenoxy)-N,N-dimethylbenzamide?
The canonical SMILES for 4-(4-butylphenoxy)-N,N-dimethylbenzamide is CCCCc1ccc(Oc2ccc(C(=O)N(C)C)cc2)cc1.
What is the InChIKey of 4-(4-butylphenoxy)-N,N-dimethylbenzamide?
The InChIKey is SFVGWJUPQQLVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-4-5-6-15-7-11-17(12-8-15)22-18-13-9-16(10-14-18)19(21)20(2)3/h7-14H,4-6H2,1-3H3.
What are the key properties of 4-(4-butylphenoxy)-N,N-dimethylbenzamide?
4-(4-butylphenoxy)-N,N-dimethylbenzamide has a molecular weight of 297.40 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butylphenoxy)-N,N-dimethylbenzamide is sourced from PubChem (CID 146305996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).