N,N-dimethyl-4-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]benzamide

C26H29N3O3 — CID 54825579

IUPACN,N-dimethyl-4-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]benzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)CNc2ccc(OCCCc3ccccc3)cc2)cc1
InChIInChI=1S/C26H29N3O3/c1-29(2)26(31)21-10-12-23(13-11-21)28-25(30)19-27-22-14-16-24(17-15-22)32-18-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-17,27H,6,9,18-19H2,1-2H3,(H,28,30)
InChIKeyPQBFJRAPRLYGLN-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.45
Rot. Bonds10

About N,N-dimethyl-4-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]benzamide

N,N-dimethyl-4-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]benzamide (PubChem CID 54825579) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is N,N-dimethyl-4-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]benzamide
PubChem CID54825579
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC NameN,N-dimethyl-4-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]benzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)CNc2ccc(OCCCc3ccccc3)cc2)cc1
InChIInChI=1S/C26H29N3O3/c1-29(2)26(31)21-10-12-23(13-11-21)28-25(30)19-27-22-14-16-24(17-15-22)32-18-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-17,27H,6,9,18-19H2,1-2H3,(H,28,30)
InChIKeyPQBFJRAPRLYGLN-UHFFFAOYSA-N
XLogP4.45
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 ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825334
N-[4-[[2-oxo-2-[4-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54839600
N-[4-[acetyl(methyl)amino]phenyl]-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825570
N-butyl-4-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]benzamide
CID 54825518
N-(4-hexoxyphenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825486
N-[4-(2-ethoxyethoxy)phenyl]-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825460
4-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840736
N,N-dimethyl-3-[4-[[2-oxo-2-[4-(2-phenylethoxy)anilino]ethyl]amino]phenyl]propanamide
CID 54845564
N-ethyl-4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]benzamide
CID 54823874
N-(4-methylphenyl)-2-[4-(2-phenylethoxy)anilino]acetamide
CID 54824064
2-[4-(2-methoxyethoxy)anilino]-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 54822166
2-(4-ethoxyanilino)-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 54811684

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]benzamide?
The IUPAC name of N,N-dimethyl-4-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]benzamide (CID 54825579) is N,N-dimethyl-4-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]benzamide?
The canonical SMILES for N,N-dimethyl-4-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]benzamide is CN(C)C(=O)c1ccc(NC(=O)CNc2ccc(OCCCc3ccccc3)cc2)cc1.
What is the InChIKey of N,N-dimethyl-4-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]benzamide?
The InChIKey is PQBFJRAPRLYGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-29(2)26(31)21-10-12-23(13-11-21)28-25(30)19-27-22-14-16-24(17-15-22)32-18-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-17,27H,6,9,18-19H2,1-2H3,(H,28,30).
What are the key properties of N,N-dimethyl-4-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]benzamide?
N,N-dimethyl-4-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]benzamide has a molecular weight of 431.54 g/mol, XLogP of 4.45, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54825579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).