4-butoxy-N-(1-hydroxy-4-methylpentan-3-yl)benzamide

C17H27NO3 — CID 103750873

IUPAC4-butoxy-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
SMILESCCCCOc1ccc(C(=O)NC(CCO)C(C)C)cc1
InChIInChI=1S/C17H27NO3/c1-4-5-12-21-15-8-6-14(7-9-15)17(20)18-16(10-11-19)13(2)3/h6-9,13,16,19H,4-5,10-12H2,1-3H3,(H,18,20)
InChIKeyFVXSXRJTCNHVAU-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.00
Rot. Bonds9

About 4-butoxy-N-(1-hydroxy-4-methylpentan-3-yl)benzamide

4-butoxy-N-(1-hydroxy-4-methylpentan-3-yl)benzamide (PubChem CID 103750873) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-butoxy-N-(1-hydroxy-4-methylpentan-3-yl)benzamide.

Molecular Properties

Compound Name4-butoxy-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
PubChem CID103750873
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name4-butoxy-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
SMILESCCCCOc1ccc(C(=O)NC(CCO)C(C)C)cc1
InChIInChI=1S/C17H27NO3/c1-4-5-12-21-15-8-6-14(7-9-15)17(20)18-16(10-11-19)13(2)3/h6-9,13,16,19H,4-5,10-12H2,1-3H3,(H,18,20)
InChIKeyFVXSXRJTCNHVAU-UHFFFAOYSA-N
XLogP3.00
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-amino-2-oxoethoxy)-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 103750889
N-(1-hydroxy-4-methylpentan-3-yl)-4-propan-2-yloxybenzamide
CID 103782545
N-(1-hydroxypentan-3-yl)-4-propoxybenzamide
CID 115767380
(2S)-4-hydroxy-2-[(4-propoxybenzoyl)amino]butanoic acid
CID 107822214
4-ethoxy-N-(4-hydroxybutan-2-yl)benzamide
CID 81042787
(2S)-2-[(4-butoxybenzoyl)amino]pentanoic acid
CID 107564279
N-(1-hydroxypropan-2-yl)-4-propoxybenzamide
CID 43418970
4-butoxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
CID 4936465
ethyl (2R,3R)-2-[(4-butoxybenzoyl)amino]-3-hydroxybutanoate
CID 95635789
methyl (2S)-2-[(4-hexoxybenzoyl)amino]-3-methylbutanoate
CID 134179064
4-pentoxybenzohydrazide
CID 2727702
N-(2-aminopropyl)-4-butoxybenzamide
CID 63732303

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-(1-hydroxy-4-methylpentan-3-yl)benzamide?
The IUPAC name of 4-butoxy-N-(1-hydroxy-4-methylpentan-3-yl)benzamide (CID 103750873) is 4-butoxy-N-(1-hydroxy-4-methylpentan-3-yl)benzamide.
What is the SMILES notation for 4-butoxy-N-(1-hydroxy-4-methylpentan-3-yl)benzamide?
The canonical SMILES for 4-butoxy-N-(1-hydroxy-4-methylpentan-3-yl)benzamide is CCCCOc1ccc(C(=O)NC(CCO)C(C)C)cc1.
What is the InChIKey of 4-butoxy-N-(1-hydroxy-4-methylpentan-3-yl)benzamide?
The InChIKey is FVXSXRJTCNHVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-4-5-12-21-15-8-6-14(7-9-15)17(20)18-16(10-11-19)13(2)3/h6-9,13,16,19H,4-5,10-12H2,1-3H3,(H,18,20).
What are the key properties of 4-butoxy-N-(1-hydroxy-4-methylpentan-3-yl)benzamide?
4-butoxy-N-(1-hydroxy-4-methylpentan-3-yl)benzamide has a molecular weight of 293.41 g/mol, XLogP of 3.00, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-(1-hydroxy-4-methylpentan-3-yl)benzamide is sourced from PubChem (CID 103750873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).