4-butyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide

C16H25NO3 — CID 104630211

IUPAC4-butyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide
SMILESCCCCc1ccc(C(=O)NC(CC)(CO)CO)cc1
InChIInChI=1S/C16H25NO3/c1-3-5-6-13-7-9-14(10-8-13)15(20)17-16(4-2,11-18)12-19/h7-10,18-19H,3-6,11-12H2,1-2H3,(H,17,20)
InChIKeyXOBOJIHZSAIBTH-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.89
Rot. Bonds8

About 4-butyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide

4-butyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide (PubChem CID 104630211) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-butyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide.

Molecular Properties

Compound Name4-butyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide
PubChem CID104630211
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name4-butyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide
SMILESCCCCc1ccc(C(=O)NC(CC)(CO)CO)cc1
InChIInChI=1S/C16H25NO3/c1-3-5-6-13-7-9-14(10-8-13)15(20)17-16(4-2,11-18)12-19/h7-10,18-19H,3-6,11-12H2,1-2H3,(H,17,20)
InChIKeyXOBOJIHZSAIBTH-UHFFFAOYSA-N
XLogP1.89
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-butyl-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 115968785
4-butyl-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide
CID 106251909
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-(methylsulfonylmethyl)benzamide
CID 103890885
N-[3-(aminomethyl)pentan-3-yl]-4-propylbenzamide;hydrochloride
CID 119571299
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-(trifluoromethyl)benzamide
CID 103602168
2-methyl-2-[(4-pentylbenzoyl)amino]propanoic acid
CID 167119423
N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 55209778
4-butylbenzoic acid;zinc
CID 175174767
CID 69445910
CID 69445910
4-(aminomethyl)-N-(3-ethylpentan-3-yl)benzamide;hydrochloride
CID 119334920
1-(4-butylphenyl)-2-hydroxyethanone
CID 95436919
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-(trifluoromethoxy)benzamide
CID 103602335

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide?
The IUPAC name of 4-butyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide (CID 104630211) is 4-butyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide.
What is the SMILES notation for 4-butyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide?
The canonical SMILES for 4-butyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide is CCCCc1ccc(C(=O)NC(CC)(CO)CO)cc1.
What is the InChIKey of 4-butyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide?
The InChIKey is XOBOJIHZSAIBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-3-5-6-13-7-9-14(10-8-13)15(20)17-16(4-2,11-18)12-19/h7-10,18-19H,3-6,11-12H2,1-2H3,(H,17,20).
What are the key properties of 4-butyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide?
4-butyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide has a molecular weight of 279.38 g/mol, XLogP of 1.89, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide is sourced from PubChem (CID 104630211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).