4-butyl-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide

C18H29NO2 — CID 106251909

IUPAC4-butyl-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide
SMILESCCCCc1ccc(C(=O)NCC(CC)(CC)CO)cc1
InChIInChI=1S/C18H29NO2/c1-4-7-8-15-9-11-16(12-10-15)17(21)19-13-18(5-2,6-3)14-20/h9-12,20H,4-8,13-14H2,1-3H3,(H,19,21)
InChIKeyYCVPAGJNEJGSAO-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.56
Rot. Bonds9

About 4-butyl-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide

4-butyl-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide (PubChem CID 106251909) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-butyl-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide.

Molecular Properties

Compound Name4-butyl-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide
PubChem CID106251909
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name4-butyl-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide
SMILESCCCCc1ccc(C(=O)NCC(CC)(CC)CO)cc1
InChIInChI=1S/C18H29NO2/c1-4-7-8-15-9-11-16(12-10-15)17(21)19-13-18(5-2,6-3)14-20/h9-12,20H,4-8,13-14H2,1-3H3,(H,19,21)
InChIKeyYCVPAGJNEJGSAO-UHFFFAOYSA-N
XLogP3.56
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-butyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide
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N-[2-ethyl-2-(hydroxymethyl)butyl]thiophene-3-carboxamide
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4-butyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 80717510
N-[(4-butylphenyl)methyl]-1-methylpyridin-1-ium-4-carboxamide
CID 123663391
4-butyl-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 115968785
4-amino-3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide
CID 106249424
CID 69445910
CID 69445910
4-butylbenzoic acid;zinc
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N-pentyl-4-propylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide?
The IUPAC name of 4-butyl-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide (CID 106251909) is 4-butyl-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide.
What is the SMILES notation for 4-butyl-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide?
The canonical SMILES for 4-butyl-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide is CCCCc1ccc(C(=O)NCC(CC)(CC)CO)cc1.
What is the InChIKey of 4-butyl-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide?
The InChIKey is YCVPAGJNEJGSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-7-8-15-9-11-16(12-10-15)17(21)19-13-18(5-2,6-3)14-20/h9-12,20H,4-8,13-14H2,1-3H3,(H,19,21).
What are the key properties of 4-butyl-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide?
4-butyl-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide has a molecular weight of 291.44 g/mol, XLogP of 3.56, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide is sourced from PubChem (CID 106251909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).