4-butyl-N-(2-ethylhexyl)benzamide

C19H31NO — CID 91723782

IUPAC4-butyl-N-(2-ethylhexyl)benzamide
SMILESCCCCc1ccc(C(=O)NCC(CC)CCCC)cc1
InChIInChI=1S/C19H31NO/c1-4-7-9-16(6-3)15-20-19(21)18-13-11-17(12-14-18)10-8-5-2/h11-14,16H,4-10,15H2,1-3H3,(H,20,21)
InChIKeyIAVZWWHYHSTCCU-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.98
Rot. Bonds10

About 4-butyl-N-(2-ethylhexyl)benzamide

4-butyl-N-(2-ethylhexyl)benzamide (PubChem CID 91723782) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 4-butyl-N-(2-ethylhexyl)benzamide.

Molecular Properties

Compound Name4-butyl-N-(2-ethylhexyl)benzamide
PubChem CID91723782
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name4-butyl-N-(2-ethylhexyl)benzamide
SMILESCCCCc1ccc(C(=O)NCC(CC)CCCC)cc1
InChIInChI=1S/C19H31NO/c1-4-7-9-16(6-3)15-20-19(21)18-13-11-17(12-14-18)10-8-5-2/h11-14,16H,4-10,15H2,1-3H3,(H,20,21)
InChIKeyIAVZWWHYHSTCCU-UHFFFAOYSA-N
XLogP4.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2S)-2-ethylhexyl]-4-iodobenzamide
CID 95356323
4-(dimethylamino)-N-(2-ethylhexyl)benzamide
CID 60520434
N-(2-ethylhexyl)-4-[ethylsulfonyl(methyl)amino]benzamide
CID 133229169
N-[(2S)-2-ethylhexyl]-4-octoxybenzamide
CID 125462791
4-bromo-3-chloro-N-(2-ethylhexyl)benzamide
CID 81307789
N-[(2R)-2-ethylpentyl]benzamide
CID 2334822
N-[(2S)-2-ethylhexyl]pyridine-3-carboxamide
CID 2165504
[2-chloro-5-[[(2R)-2-ethylhexyl]carbamoyl]phenyl]boronic acid
CID 99738113
N-(2-ethylhexyl)-1,3-benzodioxole-5-carboxamide
CID 2915932
N-(2-ethylhexyl)-3-phenylpropanamide
CID 3261802
3-ethoxy-N-(2-ethylhexyl)-4-methoxybenzamide
CID 134016715
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(2-ethylhexyl)benzamide
CID 133229571

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(2-ethylhexyl)benzamide?
The IUPAC name of 4-butyl-N-(2-ethylhexyl)benzamide (CID 91723782) is 4-butyl-N-(2-ethylhexyl)benzamide.
What is the SMILES notation for 4-butyl-N-(2-ethylhexyl)benzamide?
The canonical SMILES for 4-butyl-N-(2-ethylhexyl)benzamide is CCCCc1ccc(C(=O)NCC(CC)CCCC)cc1.
What is the InChIKey of 4-butyl-N-(2-ethylhexyl)benzamide?
The InChIKey is IAVZWWHYHSTCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-4-7-9-16(6-3)15-20-19(21)18-13-11-17(12-14-18)10-8-5-2/h11-14,16H,4-10,15H2,1-3H3,(H,20,21).
What are the key properties of 4-butyl-N-(2-ethylhexyl)benzamide?
4-butyl-N-(2-ethylhexyl)benzamide has a molecular weight of 289.46 g/mol, XLogP of 4.98, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(2-ethylhexyl)benzamide is sourced from PubChem (CID 91723782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).