N-benzyl-4-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide

C26H29N3O3 — CID 54843854

IUPACN-benzyl-4-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
SMILESCC(C)COc1ccc(NC(=O)CNc2ccc(C(=O)NCc3ccccc3)cc2)cc1
InChIInChI=1S/C26H29N3O3/c1-19(2)18-32-24-14-12-23(13-15-24)29-25(30)17-27-22-10-8-21(9-11-22)26(31)28-16-20-6-4-3-5-7-20/h3-15,19,27H,16-18H2,1-2H3,(H,28,31)(H,29,30)
InChIKeyUPTCKTPHZHTJMV-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.70
Rot. Bonds10

About N-benzyl-4-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide

N-benzyl-4-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide (PubChem CID 54843854) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-benzyl-4-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-4-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
PubChem CID54843854
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC NameN-benzyl-4-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
SMILESCC(C)COc1ccc(NC(=O)CNc2ccc(C(=O)NCc3ccccc3)cc2)cc1
InChIInChI=1S/C26H29N3O3/c1-19(2)18-32-24-14-12-23(13-15-24)29-25(30)17-27-22-10-8-21(9-11-22)26(31)28-16-20-6-4-3-5-7-20/h3-15,19,27H,16-18H2,1-2H3,(H,28,31)(H,29,30)
InChIKeyUPTCKTPHZHTJMV-UHFFFAOYSA-N
XLogP4.70
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-[[2-(4-ethoxyanilino)acetyl]amino]benzamide
CID 54810964
N-benzyl-4-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]benzamide
CID 54843914
4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]-N-propylbenzamide
CID 54820175
N-(2-methoxyethyl)-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide
CID 54820174
N-tert-butyl-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide
CID 54820536
4-[[2-[4-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54835804
N,N-dimethyl-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide
CID 54820375
4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-propan-2-ylbenzamide
CID 54840386
N-(4-acetamidophenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
CID 54820398
N-benzyl-4-[[2-(4-methylphenoxy)acetyl]amino]benzamide
CID 28639871
2-[4-(2-methoxyethoxy)anilino]-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54822490
1-N-benzyl-4-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109046741

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide?
The IUPAC name of N-benzyl-4-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide (CID 54843854) is N-benzyl-4-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-benzyl-4-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-benzyl-4-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide is CC(C)COc1ccc(NC(=O)CNc2ccc(C(=O)NCc3ccccc3)cc2)cc1.
What is the InChIKey of N-benzyl-4-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide?
The InChIKey is UPTCKTPHZHTJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-19(2)18-32-24-14-12-23(13-15-24)29-25(30)17-27-22-10-8-21(9-11-22)26(31)28-16-20-6-4-3-5-7-20/h3-15,19,27H,16-18H2,1-2H3,(H,28,31)(H,29,30).
What are the key properties of N-benzyl-4-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide?
N-benzyl-4-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide has a molecular weight of 431.54 g/mol, XLogP of 4.70, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54843854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).