4-[1-(methylamino)ethenyl]-N-[[[4-[1-(methylamino)ethenyl]benzoyl]amino]methyl]benzamide

C21H24N4O2 — CID 59841901

IUPAC4-[1-(methylamino)ethenyl]-N-[[[4-[1-(methylamino)ethenyl]benzoyl]amino]methyl]benzamide
SMILESC=C(NC)c1ccc(C(=O)NCNC(=O)c2ccc(C(=C)NC)cc2)cc1
InChIInChI=1S/C21H24N4O2/c1-14(22-3)16-5-9-18(10-6-16)20(26)24-13-25-21(27)19-11-7-17(8-12-19)15(2)23-4/h5-12,22-23H,1-2,13H2,3-4H3,(H,24,26)(H,25,27)
InChIKeySYPWDJXFHRTMEC-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.18
Rot. Bonds8

About 4-[1-(methylamino)ethenyl]-N-[[[4-[1-(methylamino)ethenyl]benzoyl]amino]methyl]benzamide

4-[1-(methylamino)ethenyl]-N-[[[4-[1-(methylamino)ethenyl]benzoyl]amino]methyl]benzamide (PubChem CID 59841901) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-[1-(methylamino)ethenyl]-N-[[[4-[1-(methylamino)ethenyl]benzoyl]amino]methyl]benzamide.

Molecular Properties

Compound Name4-[1-(methylamino)ethenyl]-N-[[[4-[1-(methylamino)ethenyl]benzoyl]amino]methyl]benzamide
PubChem CID59841901
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name4-[1-(methylamino)ethenyl]-N-[[[4-[1-(methylamino)ethenyl]benzoyl]amino]methyl]benzamide
SMILESC=C(NC)c1ccc(C(=O)NCNC(=O)c2ccc(C(=C)NC)cc2)cc1
InChIInChI=1S/C21H24N4O2/c1-14(22-3)16-5-9-18(10-6-16)20(26)24-13-25-21(27)19-11-7-17(8-12-19)15(2)23-4/h5-12,22-23H,1-2,13H2,3-4H3,(H,24,26)(H,25,27)
InChIKeySYPWDJXFHRTMEC-UHFFFAOYSA-N
XLogP2.18
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[[(4-aminobenzoyl)amino]methyl]benzamide
CID 22949694
4-formyl-N-[[(4-formylbenzoyl)amino]methyl]benzamide
CID 88940421
N-methyl-2-[4-[3-(methylamino)-3-oxoprop-1-en-2-yl]phenyl]prop-2-enamide
CID 70360767
4-acetyl-N-[6-(methylamino)hexyl]benzamide
CID 54472432
4-methyl-N-[2-(methylamino)ethyl]benzamide
CID 59535801
4-[[2-(methylamino)-2-oxoethyl]carbamoyl]benzoic acid
CID 43414345
4-benzoyl-N-[(2,2-dimethylbutanoylamino)methyl]benzamide
CID 22084428
(E)-N-[(E)-but-2-enyl]-3-[4-[1-(methylamino)ethenyl]phenyl]prop-2-enamide
CID 118857982
N'-[1-(4-tert-butylphenyl)ethenyl]-N-methylethane-1,2-diamine
CID 167046499
4-methyl-N-[3-(methylamino)propyl]benzamide
CID 18336628
N-[(prop-2-enoylamino)methyl]benzamide
CID 46707282
CID 153373554
CID 153373554

Frequently Asked Questions

What is the IUPAC name of 4-[1-(methylamino)ethenyl]-N-[[[4-[1-(methylamino)ethenyl]benzoyl]amino]methyl]benzamide?
The IUPAC name of 4-[1-(methylamino)ethenyl]-N-[[[4-[1-(methylamino)ethenyl]benzoyl]amino]methyl]benzamide (CID 59841901) is 4-[1-(methylamino)ethenyl]-N-[[[4-[1-(methylamino)ethenyl]benzoyl]amino]methyl]benzamide.
What is the SMILES notation for 4-[1-(methylamino)ethenyl]-N-[[[4-[1-(methylamino)ethenyl]benzoyl]amino]methyl]benzamide?
The canonical SMILES for 4-[1-(methylamino)ethenyl]-N-[[[4-[1-(methylamino)ethenyl]benzoyl]amino]methyl]benzamide is C=C(NC)c1ccc(C(=O)NCNC(=O)c2ccc(C(=C)NC)cc2)cc1.
What is the InChIKey of 4-[1-(methylamino)ethenyl]-N-[[[4-[1-(methylamino)ethenyl]benzoyl]amino]methyl]benzamide?
The InChIKey is SYPWDJXFHRTMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14(22-3)16-5-9-18(10-6-16)20(26)24-13-25-21(27)19-11-7-17(8-12-19)15(2)23-4/h5-12,22-23H,1-2,13H2,3-4H3,(H,24,26)(H,25,27).
What are the key properties of 4-[1-(methylamino)ethenyl]-N-[[[4-[1-(methylamino)ethenyl]benzoyl]amino]methyl]benzamide?
4-[1-(methylamino)ethenyl]-N-[[[4-[1-(methylamino)ethenyl]benzoyl]amino]methyl]benzamide has a molecular weight of 364.45 g/mol, XLogP of 2.18, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(methylamino)ethenyl]-N-[[[4-[1-(methylamino)ethenyl]benzoyl]amino]methyl]benzamide is sourced from PubChem (CID 59841901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).