2-(4-butylphenyl)-N-(2-hydroxy-2-methylpentyl)acetamide

C18H29NO2 — CID 103712966

IUPAC2-(4-butylphenyl)-N-(2-hydroxy-2-methylpentyl)acetamide
SMILESCCCCc1ccc(CC(=O)NCC(C)(O)CCC)cc1
InChIInChI=1S/C18H29NO2/c1-4-6-7-15-8-10-16(11-9-15)13-17(20)19-14-18(3,21)12-5-2/h8-11,21H,4-7,12-14H2,1-3H3,(H,19,20)
InChIKeySJQLEHLIHNHONA-UHFFFAOYSA-N
MW291.43 g/mol
LogP3.24
Rot. Bonds9

About 2-(4-butylphenyl)-N-(2-hydroxy-2-methylpentyl)acetamide

2-(4-butylphenyl)-N-(2-hydroxy-2-methylpentyl)acetamide (PubChem CID 103712966) has the molecular formula C18H29NO2 and a molecular weight of 291.43 g/mol. Its IUPAC name is 2-(4-butylphenyl)-N-(2-hydroxy-2-methylpentyl)acetamide.

Molecular Properties

Compound Name2-(4-butylphenyl)-N-(2-hydroxy-2-methylpentyl)acetamide
PubChem CID103712966
Molecular FormulaC18H29NO2
Molecular Weight291.43 g/mol
Exact Mass291.22
IUPAC Name2-(4-butylphenyl)-N-(2-hydroxy-2-methylpentyl)acetamide
SMILESCCCCc1ccc(CC(=O)NCC(C)(O)CCC)cc1
InChIInChI=1S/C18H29NO2/c1-4-6-7-15-8-10-16(11-9-15)13-17(20)19-14-18(3,21)12-5-2/h8-11,21H,4-7,12-14H2,1-3H3,(H,19,20)
InChIKeySJQLEHLIHNHONA-UHFFFAOYSA-N
XLogP3.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(4-butylphenyl)acetyl]amino]-2,2-dimethylpropanoic acid
CID 81369144
3-[[2-(4-butylphenyl)acetyl]amino]-2,2-dimethylpropanamide
CID 56813745
2-(4-chlorophenyl)-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]acetamide
CID 52906943
2-(4-butylphenyl)-N-(2-methylpropyl)acetamide
CID 60656279
(2S)-3-[[2-(4-butylphenyl)acetyl]amino]-2-hydroxypropanoic acid
CID 107832968
2-(4-butylphenyl)-N-(2-chloroprop-2-enyl)acetamide
CID 113238577
2-(4-butylphenyl)-N-(4-hydroxybutyl)acetamide
CID 106843310
4-[[[2-(4-butylphenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide
CID 46422120
methyl 3-[[2-(4-butylphenyl)acetyl]amino]-2-hydroxypropanoate
CID 103879388
N-tert-butyl-2-(4-heptylphenyl)acetamide
CID 161404255
N-(2-hydroxy-2-methylbutyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 65114973
N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide
CID 113240365

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)-N-(2-hydroxy-2-methylpentyl)acetamide?
The IUPAC name of 2-(4-butylphenyl)-N-(2-hydroxy-2-methylpentyl)acetamide (CID 103712966) is 2-(4-butylphenyl)-N-(2-hydroxy-2-methylpentyl)acetamide.
What is the SMILES notation for 2-(4-butylphenyl)-N-(2-hydroxy-2-methylpentyl)acetamide?
The canonical SMILES for 2-(4-butylphenyl)-N-(2-hydroxy-2-methylpentyl)acetamide is CCCCc1ccc(CC(=O)NCC(C)(O)CCC)cc1.
What is the InChIKey of 2-(4-butylphenyl)-N-(2-hydroxy-2-methylpentyl)acetamide?
The InChIKey is SJQLEHLIHNHONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-6-7-15-8-10-16(11-9-15)13-17(20)19-14-18(3,21)12-5-2/h8-11,21H,4-7,12-14H2,1-3H3,(H,19,20).
What are the key properties of 2-(4-butylphenyl)-N-(2-hydroxy-2-methylpentyl)acetamide?
2-(4-butylphenyl)-N-(2-hydroxy-2-methylpentyl)acetamide has a molecular weight of 291.43 g/mol, XLogP of 3.24, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)-N-(2-hydroxy-2-methylpentyl)acetamide is sourced from PubChem (CID 103712966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).