3-butan-2-yloxy-N-(4-heptoxyphenyl)benzamide

C24H33NO3 — CID 17149809

IUPAC3-butan-2-yloxy-N-(4-heptoxyphenyl)benzamide
SMILESCCCCCCCOc1ccc(NC(=O)c2cccc(OC(C)CC)c2)cc1
InChIInChI=1S/C24H33NO3/c1-4-6-7-8-9-17-27-22-15-13-21(14-16-22)25-24(26)20-11-10-12-23(18-20)28-19(3)5-2/h10-16,18-19H,4-9,17H2,1-3H3,(H,25,26)
InChIKeyJHBCEAKZMZULMZ-UHFFFAOYSA-N
MW383.53 g/mol
LogP6.47
Rot. Bonds12

About 3-butan-2-yloxy-N-(4-heptoxyphenyl)benzamide

3-butan-2-yloxy-N-(4-heptoxyphenyl)benzamide (PubChem CID 17149809) has the molecular formula C24H33NO3 and a molecular weight of 383.53 g/mol. Its IUPAC name is 3-butan-2-yloxy-N-(4-heptoxyphenyl)benzamide.

Molecular Properties

Compound Name3-butan-2-yloxy-N-(4-heptoxyphenyl)benzamide
PubChem CID17149809
Molecular FormulaC24H33NO3
Molecular Weight383.53 g/mol
Exact Mass383.25
IUPAC Name3-butan-2-yloxy-N-(4-heptoxyphenyl)benzamide
SMILESCCCCCCCOc1ccc(NC(=O)c2cccc(OC(C)CC)c2)cc1
InChIInChI=1S/C24H33NO3/c1-4-6-7-8-9-17-27-22-15-13-21(14-16-22)25-24(26)20-11-10-12-23(18-20)28-19(3)5-2/h10-16,18-19H,4-9,17H2,1-3H3,(H,25,26)
InChIKeyJHBCEAKZMZULMZ-UHFFFAOYSA-N
XLogP6.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.53
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-butan-2-yloxy-N-[(4-heptoxyphenyl)carbamothioyl]benzamide
CID 17150128
3-butoxy-N-(4-heptoxyphenyl)benzamide
CID 4956588
4-butan-2-yloxy-N-(3-heptoxyphenyl)benzamide
CID 17141359
4-butan-2-yloxy-N-(3-hexoxyphenyl)benzamide
CID 17141337
3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958264
N-(4-butoxyphenyl)-3-(2-phenoxyethoxy)benzamide
CID 4955059
3-butoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 26157613
4-butan-2-yloxy-N-(4-propoxyphenyl)benzamide
CID 17141313
3-butoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 17194072
propan-2-yl 4-[[3-[(2R)-butan-2-yl]oxybenzoyl]amino]benzoate
CID 40769471
2-[(3-butan-2-yloxybenzoyl)amino]-N-(4-ethoxyphenyl)benzamide
CID 17149792
3-butan-2-yloxy-N-[3-(3-methylbutoxy)phenyl]benzamide
CID 17149831

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-N-(4-heptoxyphenyl)benzamide?
The IUPAC name of 3-butan-2-yloxy-N-(4-heptoxyphenyl)benzamide (CID 17149809) is 3-butan-2-yloxy-N-(4-heptoxyphenyl)benzamide.
What is the SMILES notation for 3-butan-2-yloxy-N-(4-heptoxyphenyl)benzamide?
The canonical SMILES for 3-butan-2-yloxy-N-(4-heptoxyphenyl)benzamide is CCCCCCCOc1ccc(NC(=O)c2cccc(OC(C)CC)c2)cc1.
What is the InChIKey of 3-butan-2-yloxy-N-(4-heptoxyphenyl)benzamide?
The InChIKey is JHBCEAKZMZULMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO3/c1-4-6-7-8-9-17-27-22-15-13-21(14-16-22)25-24(26)20-11-10-12-23(18-20)28-19(3)5-2/h10-16,18-19H,4-9,17H2,1-3H3,(H,25,26).
What are the key properties of 3-butan-2-yloxy-N-(4-heptoxyphenyl)benzamide?
3-butan-2-yloxy-N-(4-heptoxyphenyl)benzamide has a molecular weight of 383.53 g/mol, XLogP of 6.47, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxy-N-(4-heptoxyphenyl)benzamide is sourced from PubChem (CID 17149809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).