4-(3-methylbutoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide

C22H27NO3 — CID 17097690

IUPAC4-(3-methylbutoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
SMILESC=C(C)COc1ccc(NC(=O)c2ccc(OCCC(C)C)cc2)cc1
InChIInChI=1S/C22H27NO3/c1-16(2)13-14-25-20-9-5-18(6-10-20)22(24)23-19-7-11-21(12-8-19)26-15-17(3)4/h5-12,16H,3,13-15H2,1-2,4H3,(H,23,24)
InChIKeyDECWMIVWDROGFG-UHFFFAOYSA-N
MW353.46 g/mol
LogP5.32
Rot. Bonds9

About 4-(3-methylbutoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide

4-(3-methylbutoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide (PubChem CID 17097690) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is 4-(3-methylbutoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-(3-methylbutoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
PubChem CID17097690
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name4-(3-methylbutoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
SMILESC=C(C)COc1ccc(NC(=O)c2ccc(OCCC(C)C)cc2)cc1
InChIInChI=1S/C22H27NO3/c1-16(2)13-14-25-20-9-5-18(6-10-20)22(24)23-19-7-11-21(12-8-19)26-15-17(3)4/h5-12,16H,3,13-15H2,1-2,4H3,(H,23,24)
InChIKeyDECWMIVWDROGFG-UHFFFAOYSA-N
XLogP5.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.46
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(3-methylbutoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-methylprop-2-enoxy)-N-(4-propan-2-yloxyphenyl)benzamide
CID 17123815
4-methoxy-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
CID 17097607
N-[4-(3-methylbutoxy)phenyl]-4-pentoxybenzamide
CID 4949915
N-(4-anilinophenyl)-4-(3-methylbutoxy)benzamide
CID 4948110
4-(aminomethyl)-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 119331702
N-[4-(diethylamino)phenyl]-4-(2-methylprop-2-enoxy)benzamide
CID 17123754
N-(6-chloro-3-pyridinyl)-4-(3-methylbutoxy)benzamide
CID 54787994
N-methyl-4-[[4-(3-methylbutoxy)benzoyl]amino]-N-phenylbenzamide
CID 17230240
3-bromo-4-(3-methylbutoxy)-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 17339461
3-methyl-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 4949751
4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272
4-(3-methylbutoxy)-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
CID 17194765

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide?
The IUPAC name of 4-(3-methylbutoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide (CID 17097690) is 4-(3-methylbutoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide.
What is the SMILES notation for 4-(3-methylbutoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide?
The canonical SMILES for 4-(3-methylbutoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide is C=C(C)COc1ccc(NC(=O)c2ccc(OCCC(C)C)cc2)cc1.
What is the InChIKey of 4-(3-methylbutoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide?
The InChIKey is DECWMIVWDROGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-16(2)13-14-25-20-9-5-18(6-10-20)22(24)23-19-7-11-21(12-8-19)26-15-17(3)4/h5-12,16H,3,13-15H2,1-2,4H3,(H,23,24).
What are the key properties of 4-(3-methylbutoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide?
4-(3-methylbutoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide has a molecular weight of 353.46 g/mol, XLogP of 5.32, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide is sourced from PubChem (CID 17097690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).