4-[[cyclopropyl-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]amino]methyl]benzamide

C26H27N3O3 — CID 46568042

IUPAC4-[[cyclopropyl-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]amino]methyl]benzamide
SMILESCc1ccc(Oc2ccccc2NC(=O)CN(Cc2ccc(C(N)=O)cc2)C2CC2)cc1
InChIInChI=1S/C26H27N3O3/c1-18-6-14-22(15-7-18)32-24-5-3-2-4-23(24)28-25(30)17-29(21-12-13-21)16-19-8-10-20(11-9-19)26(27)31/h2-11,14-15,21H,12-13,16-17H2,1H3,(H2,27,31)(H,28,30)
InChIKeyZKYIPOLIAXPRAC-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.49
Rot. Bonds9

About 4-[[cyclopropyl-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]amino]methyl]benzamide

4-[[cyclopropyl-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]amino]methyl]benzamide (PubChem CID 46568042) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is 4-[[cyclopropyl-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[cyclopropyl-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]amino]methyl]benzamide
PubChem CID46568042
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name4-[[cyclopropyl-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]amino]methyl]benzamide
SMILESCc1ccc(Oc2ccccc2NC(=O)CN(Cc2ccc(C(N)=O)cc2)C2CC2)cc1
InChIInChI=1S/C26H27N3O3/c1-18-6-14-22(15-7-18)32-24-5-3-2-4-23(24)28-25(30)17-29(21-12-13-21)16-19-8-10-20(11-9-19)26(27)31/h2-11,14-15,21H,12-13,16-17H2,1H3,(H2,27,31)(H,28,30)
InChIKeyZKYIPOLIAXPRAC-UHFFFAOYSA-N
XLogP4.49
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[cyclopropyl-[2-(2,5-difluoroanilino)-2-oxoethyl]amino]methyl]benzamide
CID 46568070
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 35885885
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2-phenoxyphenyl)acetamide
CID 60509869
4-[[cyclopropyl-[2-(2,6-dichloroanilino)-2-oxoethyl]amino]methyl]benzamide
CID 35266299
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 8770815
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 8872677
3-[[2-[(4-carbamoylphenyl)methyl-cyclopropylamino]acetyl]amino]-N-methylbenzamide
CID 46568152
N-(2-bromo-4-methylphenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 8770119
[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] 4-methoxybenzoate
CID 41174435
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 8769999
2-[(4-chlorophenyl)methyl-cyclopropylamino]-N-(4-methylphenyl)acetamide
CID 60514622
2-[cyclohexyl(methyl)amino]-N-(2-phenoxyphenyl)acetamide
CID 46800677

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]amino]methyl]benzamide?
The IUPAC name of 4-[[cyclopropyl-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]amino]methyl]benzamide (CID 46568042) is 4-[[cyclopropyl-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]amino]methyl]benzamide.
What is the SMILES notation for 4-[[cyclopropyl-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]amino]methyl]benzamide?
The canonical SMILES for 4-[[cyclopropyl-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]amino]methyl]benzamide is Cc1ccc(Oc2ccccc2NC(=O)CN(Cc2ccc(C(N)=O)cc2)C2CC2)cc1.
What is the InChIKey of 4-[[cyclopropyl-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]amino]methyl]benzamide?
The InChIKey is ZKYIPOLIAXPRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-18-6-14-22(15-7-18)32-24-5-3-2-4-23(24)28-25(30)17-29(21-12-13-21)16-19-8-10-20(11-9-19)26(27)31/h2-11,14-15,21H,12-13,16-17H2,1H3,(H2,27,31)(H,28,30).
What are the key properties of 4-[[cyclopropyl-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]amino]methyl]benzamide?
4-[[cyclopropyl-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]amino]methyl]benzamide has a molecular weight of 429.52 g/mol, XLogP of 4.49, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]amino]methyl]benzamide is sourced from PubChem (CID 46568042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).