3-acetyl-N-[3-[[3-(benzylamino)phenyl]methylamino]propyl]benzamide

C26H29N3O2 — CID 143752591

IUPAC3-acetyl-N-[3-[[3-(benzylamino)phenyl]methylamino]propyl]benzamide
SMILESCC(=O)c1cccc(C(=O)NCCCNCc2cccc(NCc3ccccc3)c2)c1
InChIInChI=1S/C26H29N3O2/c1-20(30)23-11-6-12-24(17-23)26(31)28-15-7-14-27-18-22-10-5-13-25(16-22)29-19-21-8-3-2-4-9-21/h2-6,8-13,16-17,27,29H,7,14-15,18-19H2,1H3,(H,28,31)
InChIKeyZLSLIKRFZSAQDI-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.41
Rot. Bonds11

About 3-acetyl-N-[3-[[3-(benzylamino)phenyl]methylamino]propyl]benzamide

3-acetyl-N-[3-[[3-(benzylamino)phenyl]methylamino]propyl]benzamide (PubChem CID 143752591) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 3-acetyl-N-[3-[[3-(benzylamino)phenyl]methylamino]propyl]benzamide.

Molecular Properties

Compound Name3-acetyl-N-[3-[[3-(benzylamino)phenyl]methylamino]propyl]benzamide
PubChem CID143752591
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Name3-acetyl-N-[3-[[3-(benzylamino)phenyl]methylamino]propyl]benzamide
SMILESCC(=O)c1cccc(C(=O)NCCCNCc2cccc(NCc3ccccc3)c2)c1
InChIInChI=1S/C26H29N3O2/c1-20(30)23-11-6-12-24(17-23)26(31)28-15-7-14-27-18-22-10-5-13-25(16-22)29-19-21-8-3-2-4-9-21/h2-6,8-13,16-17,27,29H,7,14-15,18-19H2,1H3,(H,28,31)
InChIKeyZLSLIKRFZSAQDI-UHFFFAOYSA-N
XLogP4.41
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(3-ethylphenyl)methylamino]propyl]benzamide
CID 142242535
3-N-(3-acetylphenyl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109055307
N-benzyl-3-[[2-[3-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844588
5-N-(3-acetylphenyl)-3-N-benzylpyridine-3,5-dicarboxamide
CID 109105062
3-N-benzyl-1-N-propylbenzene-1,3-dicarboxamide
CID 109050299
3-[(4-methylphenyl)methylamino]-N-propylbenzamide
CID 43675970
3-(3-acetylanilino)-N-(3-phenylpropyl)propanamide
CID 109030863
3-N-benzyl-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109054092
3-[(4-fluorophenyl)methylamino]-N-propylbenzamide
CID 43675966
3-(3-phenylpropylamino)-N-propylbenzamide
CID 78885469
4-[[3-[(4-chlorobenzoyl)amino]phenyl]methylamino]-2,2-dimethylbutanoic acid
CID 122126812
1-(3-acetylphenyl)-3-benzylthiourea
CID 839523

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[3-[[3-(benzylamino)phenyl]methylamino]propyl]benzamide?
The IUPAC name of 3-acetyl-N-[3-[[3-(benzylamino)phenyl]methylamino]propyl]benzamide (CID 143752591) is 3-acetyl-N-[3-[[3-(benzylamino)phenyl]methylamino]propyl]benzamide.
What is the SMILES notation for 3-acetyl-N-[3-[[3-(benzylamino)phenyl]methylamino]propyl]benzamide?
The canonical SMILES for 3-acetyl-N-[3-[[3-(benzylamino)phenyl]methylamino]propyl]benzamide is CC(=O)c1cccc(C(=O)NCCCNCc2cccc(NCc3ccccc3)c2)c1.
What is the InChIKey of 3-acetyl-N-[3-[[3-(benzylamino)phenyl]methylamino]propyl]benzamide?
The InChIKey is ZLSLIKRFZSAQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-20(30)23-11-6-12-24(17-23)26(31)28-15-7-14-27-18-22-10-5-13-25(16-22)29-19-21-8-3-2-4-9-21/h2-6,8-13,16-17,27,29H,7,14-15,18-19H2,1H3,(H,28,31).
What are the key properties of 3-acetyl-N-[3-[[3-(benzylamino)phenyl]methylamino]propyl]benzamide?
3-acetyl-N-[3-[[3-(benzylamino)phenyl]methylamino]propyl]benzamide has a molecular weight of 415.54 g/mol, XLogP of 4.41, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[3-[[3-(benzylamino)phenyl]methylamino]propyl]benzamide is sourced from PubChem (CID 143752591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).