N,N-diethyl-4-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzamide

C26H29N3O3 — CID 37221073

IUPACN,N-diethyl-4-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CNc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C26H29N3O3/c1-3-29(4-2)26(31)21-10-12-23(13-11-21)28-25(30)18-27-22-14-16-24(17-15-22)32-19-20-8-6-5-7-9-20/h5-17,27H,3-4,18-19H2,1-2H3,(H,28,30)
InChIKeyBQWMASONUBPGKT-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.80
Rot. Bonds10

About N,N-diethyl-4-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzamide

N,N-diethyl-4-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzamide (PubChem CID 37221073) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is N,N-diethyl-4-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzamide
PubChem CID37221073
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC NameN,N-diethyl-4-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CNc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C26H29N3O3/c1-3-29(4-2)26(31)21-10-12-23(13-11-21)28-25(30)18-27-22-14-16-24(17-15-22)32-19-20-8-6-5-7-9-20/h5-17,27H,3-4,18-19H2,1-2H3,(H,28,30)
InChIKeyBQWMASONUBPGKT-UHFFFAOYSA-N
XLogP4.80
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N,N-dipropylbenzamide
CID 54832179
4-[[2-(4-ethoxyanilino)acetyl]amino]-N,N-diethylbenzamide
CID 54811099
N,N-diethyl-4-phenylmethoxybenzamide
CID 4958372
N,N-diethyl-4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide
CID 54834104
N,N-diethyl-4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide
CID 54834109
N-[4-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]butanamide
CID 54821938
2-[4-(dimethylamino)anilino]-N-(4-phenylmethoxyphenyl)acetamide
CID 109010303
propyl 4-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzoate
CID 54822023
4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-propan-2-ylbenzamide
CID 54840386
N-benzyl-N-ethyl-2-(4-phenylmethoxyanilino)acetamide
CID 108999046
N,N-dimethyl-4-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]benzamide
CID 54825579
N-naphthalen-2-yl-2-(4-phenylmethoxyanilino)acetamide
CID 54821756

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzamide?
The IUPAC name of N,N-diethyl-4-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzamide (CID 37221073) is N,N-diethyl-4-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-4-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-4-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzamide is CCN(CC)C(=O)c1ccc(NC(=O)CNc2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of N,N-diethyl-4-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzamide?
The InChIKey is BQWMASONUBPGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-3-29(4-2)26(31)21-10-12-23(13-11-21)28-25(30)18-27-22-14-16-24(17-15-22)32-19-20-8-6-5-7-9-20/h5-17,27H,3-4,18-19H2,1-2H3,(H,28,30).
What are the key properties of N,N-diethyl-4-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzamide?
N,N-diethyl-4-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzamide has a molecular weight of 431.54 g/mol, XLogP of 4.80, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzamide is sourced from PubChem (CID 37221073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).