4-(2-methylpropoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide

C25H27NO4 — CID 17123566

IUPAC4-(2-methylpropoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide
SMILESCC(C)COc1ccc(C(=O)Nc2cccc(OCCOc3ccccc3)c2)cc1
InChIInChI=1S/C25H27NO4/c1-19(2)18-30-23-13-11-20(12-14-23)25(27)26-21-7-6-10-24(17-21)29-16-15-28-22-8-4-3-5-9-22/h3-14,17,19H,15-16,18H2,1-2H3,(H,26,27)
InChIKeyOOXVWBNFLZJNTI-UHFFFAOYSA-N
MW405.49 g/mol
LogP5.43
Rot. Bonds10

About 4-(2-methylpropoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide

4-(2-methylpropoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide (PubChem CID 17123566) has the molecular formula C25H27NO4 and a molecular weight of 405.49 g/mol. Its IUPAC name is 4-(2-methylpropoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-(2-methylpropoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide
PubChem CID17123566
Molecular FormulaC25H27NO4
Molecular Weight405.49 g/mol
Exact Mass405.19
IUPAC Name4-(2-methylpropoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide
SMILESCC(C)COc1ccc(C(=O)Nc2cccc(OCCOc3ccccc3)c2)cc1
InChIInChI=1S/C25H27NO4/c1-19(2)18-30-23-13-11-20(12-14-23)25(27)26-21-7-6-10-24(17-21)29-16-15-28-22-8-4-3-5-9-22/h3-14,17,19H,15-16,18H2,1-2H3,(H,26,27)
InChIKeyOOXVWBNFLZJNTI-UHFFFAOYSA-N
XLogP5.43
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.49
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methylpropoxy)-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079614
N-[3-(2-methylpropoxy)phenyl]-4-pentoxybenzamide
CID 17079611
N-(3-hexoxyphenyl)-4-(2-methylpropoxy)benzamide
CID 17094813
N-[3-(2-phenoxyethoxy)phenyl]-4-propoxybenzamide
CID 17123567
4-(2-methylpropoxy)-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086729
4-tert-butyl-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079565
3-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide
CID 17140377
4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123562
4-(2-phenoxyethoxy)-N-(3-phenylmethoxyphenyl)benzamide
CID 17086099
N-[3-(2-phenoxyethoxy)phenyl]-3-propan-2-yloxybenzamide
CID 17142503
4-bromo-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 54791265
N-[3-(2-methoxyethoxy)phenyl]-4-(2-phenylethoxy)benzamide
CID 17169886

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide?
The IUPAC name of 4-(2-methylpropoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide (CID 17123566) is 4-(2-methylpropoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide.
What is the SMILES notation for 4-(2-methylpropoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide?
The canonical SMILES for 4-(2-methylpropoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide is CC(C)COc1ccc(C(=O)Nc2cccc(OCCOc3ccccc3)c2)cc1.
What is the InChIKey of 4-(2-methylpropoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide?
The InChIKey is OOXVWBNFLZJNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO4/c1-19(2)18-30-23-13-11-20(12-14-23)25(27)26-21-7-6-10-24(17-21)29-16-15-28-22-8-4-3-5-9-22/h3-14,17,19H,15-16,18H2,1-2H3,(H,26,27).
What are the key properties of 4-(2-methylpropoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide?
4-(2-methylpropoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide has a molecular weight of 405.49 g/mol, XLogP of 5.43, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide is sourced from PubChem (CID 17123566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).