4-(3-methylbutoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide

C22H29NO3 — CID 43911086

IUPAC4-(3-methylbutoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
SMILESCC(C)CCOc1ccc(C(=O)NCc2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C22H29NO3/c1-16(2)13-14-25-20-11-7-19(8-12-20)22(24)23-15-18-5-9-21(10-6-18)26-17(3)4/h5-12,16-17H,13-15H2,1-4H3,(H,23,24)
InChIKeyLUSJSTASHIFMEU-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.83
Rot. Bonds9

About 4-(3-methylbutoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide

4-(3-methylbutoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide (PubChem CID 43911086) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is 4-(3-methylbutoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(3-methylbutoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
PubChem CID43911086
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name4-(3-methylbutoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
SMILESCC(C)CCOc1ccc(C(=O)NCc2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C22H29NO3/c1-16(2)13-14-25-20-11-7-19(8-12-20)22(24)23-15-18-5-9-21(10-6-18)26-17(3)4/h5-12,16-17H,13-15H2,1-4H3,(H,23,24)
InChIKeyLUSJSTASHIFMEU-UHFFFAOYSA-N
XLogP4.83
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3-methylbutoxy)-N-[(4-propan-2-yloxyphenyl)methyl]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-methylpropoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 43911075
N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzamide
CID 53282891
4-(3-methylbutoxy)-N-(pyridin-3-ylmethyl)benzamide
CID 17199623
N-[[4-(3-methylbutoxy)phenyl]methyl]-4-propan-2-yloxyaniline
CID 54799891
N-(3-hydroxypropyl)-4-(3-methylbutoxy)benzamide
CID 78796548
4-(3-methylbutoxy)-N-[(4-methylphenyl)methylcarbamothioyl]benzamide
CID 46762065
3-(3-methylbutoxy)-N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]benzamide
CID 43911263
2-[[4-(3-methylbutoxy)benzoyl]amino]acetate
CID 6944071
N-[(4-propan-2-yloxyphenyl)methyl]-3-propoxybenzamide
CID 43911104
1-N-benzyl-4-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109046741
4-(propan-2-ylcarbamoylamino)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 55829604
4-heptoxy-N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]benzamide
CID 43911250

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
The IUPAC name of 4-(3-methylbutoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide (CID 43911086) is 4-(3-methylbutoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-(3-methylbutoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
The canonical SMILES for 4-(3-methylbutoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide is CC(C)CCOc1ccc(C(=O)NCc2ccc(OC(C)C)cc2)cc1.
What is the InChIKey of 4-(3-methylbutoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
The InChIKey is LUSJSTASHIFMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-16(2)13-14-25-20-11-7-19(8-12-20)22(24)23-15-18-5-9-21(10-6-18)26-17(3)4/h5-12,16-17H,13-15H2,1-4H3,(H,23,24).
What are the key properties of 4-(3-methylbutoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
4-(3-methylbutoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide has a molecular weight of 355.48 g/mol, XLogP of 4.83, 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-propan-2-yloxyphenyl)methyl]benzamide is sourced from PubChem (CID 43911086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).