4-butyl-N,N-diethylbenzamide

C15H23NO — CID 60675001

IUPAC4-butyl-N,N-diethylbenzamide
SMILESCCCCc1ccc(C(=O)N(CC)CC)cc1
InChIInChI=1S/C15H23NO/c1-4-7-8-13-9-11-14(12-10-13)15(17)16(5-2)6-3/h9-12H,4-8H2,1-3H3
InChIKeyBKFHBQYTIPMMML-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.51
Rot. Bonds6

About 4-butyl-N,N-diethylbenzamide

4-butyl-N,N-diethylbenzamide (PubChem CID 60675001) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 4-butyl-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-butyl-N,N-diethylbenzamide
PubChem CID60675001
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name4-butyl-N,N-diethylbenzamide
SMILESCCCCc1ccc(C(=O)N(CC)CC)cc1
InChIInChI=1S/C15H23NO/c1-4-7-8-13-9-11-14(12-10-13)15(17)16(5-2)6-3/h9-12H,4-8H2,1-3H3
InChIKeyBKFHBQYTIPMMML-UHFFFAOYSA-N
XLogP3.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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N,N-diethyl-4-(3-phenylpropyl)benzamide
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4-butyl-N-hydroxy-N-phenylbenzamide
CID 14768049
4-butyl-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 113343131
4-(4-butylphenoxy)-N,N-dimethylbenzamide
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4-butylbenzoic acid;zinc
CID 175174767
CID 69445910
CID 69445910
N,N-diethyl-4-(methylsulfanylmethyl)benzamide
CID 60635900
4-butyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 103915592
2-(4-butylphenyl)-1-[4-[2-(4-butylphenyl)acetyl]phenyl]ethanone
CID 58311916

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N,N-diethylbenzamide?
The IUPAC name of 4-butyl-N,N-diethylbenzamide (CID 60675001) is 4-butyl-N,N-diethylbenzamide.
What is the SMILES notation for 4-butyl-N,N-diethylbenzamide?
The canonical SMILES for 4-butyl-N,N-diethylbenzamide is CCCCc1ccc(C(=O)N(CC)CC)cc1.
What is the InChIKey of 4-butyl-N,N-diethylbenzamide?
The InChIKey is BKFHBQYTIPMMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-7-8-13-9-11-14(12-10-13)15(17)16(5-2)6-3/h9-12H,4-8H2,1-3H3.
What are the key properties of 4-butyl-N,N-diethylbenzamide?
4-butyl-N,N-diethylbenzamide has a molecular weight of 233.35 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N,N-diethylbenzamide is sourced from PubChem (CID 60675001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).