4-(aminomethyl)-N-[3-[(2-benzamidoacetyl)amino]propyl]benzamide

C20H24N4O3 — CID 82097377

IUPAC4-(aminomethyl)-N-[3-[(2-benzamidoacetyl)amino]propyl]benzamide
SMILESNCc1ccc(C(=O)NCCCNC(=O)CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C20H24N4O3/c21-13-15-7-9-17(10-8-15)19(26)23-12-4-11-22-18(25)14-24-20(27)16-5-2-1-3-6-16/h1-3,5-10H,4,11-14,21H2,(H,22,25)(H,23,26)(H,24,27)
InChIKeyKQSSXYFSSBQGLR-UHFFFAOYSA-N
MW368.44 g/mol
LogP0.81
Rot. Bonds9

About 4-(aminomethyl)-N-[3-[(2-benzamidoacetyl)amino]propyl]benzamide

4-(aminomethyl)-N-[3-[(2-benzamidoacetyl)amino]propyl]benzamide (PubChem CID 82097377) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[3-[(2-benzamidoacetyl)amino]propyl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[3-[(2-benzamidoacetyl)amino]propyl]benzamide
PubChem CID82097377
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name4-(aminomethyl)-N-[3-[(2-benzamidoacetyl)amino]propyl]benzamide
SMILESNCc1ccc(C(=O)NCCCNC(=O)CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C20H24N4O3/c21-13-15-7-9-17(10-8-15)19(26)23-12-4-11-22-18(25)14-24-20(27)16-5-2-1-3-6-16/h1-3,5-10H,4,11-14,21H2,(H,22,25)(H,23,26)(H,24,27)
InChIKeyKQSSXYFSSBQGLR-UHFFFAOYSA-N
XLogP0.81
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 50.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[2-[4-[[2-[(2-benzamidoacetyl)amino]acetyl]amino]butylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 101335616
N-[2-(2-aminoethylamino)-2-oxoethyl]benzamide;hydrochloride
CID 119384286
N-[2-[3-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride
CID 119432544
N-[2-[3-[(2-cyanoacetyl)amino]propylamino]-2-oxoethyl]benzamide
CID 108924260
4-(aminomethyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide
CID 82097400
4-(aminomethyl)-N-[3-(2,2-dimethylpropanoylamino)propyl]benzamide
CID 82097324
N-[3-[[4-(aminomethyl)benzoyl]amino]propyl]-3-nitrobenzamide
CID 82097424
N-[2-[3-[4-(dimethylamino)phenyl]propylamino]-2-oxoethyl]benzamide
CID 46424122
4-(aminomethyl)-N-dodecylbenzamide
CID 67188292
N-[2-oxo-2-(3-pyrrol-1-ylpropylamino)ethyl]benzamide
CID 90500499
4-(aminomethyl)-N-[3-(1-phenylethoxy)propyl]benzamide
CID 119273569
4-(aminomethyl)-N-(3-cyanopropyl)benzamide
CID 62667032

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[3-[(2-benzamidoacetyl)amino]propyl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-[3-[(2-benzamidoacetyl)amino]propyl]benzamide (CID 82097377) is 4-(aminomethyl)-N-[3-[(2-benzamidoacetyl)amino]propyl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[3-[(2-benzamidoacetyl)amino]propyl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[3-[(2-benzamidoacetyl)amino]propyl]benzamide is NCc1ccc(C(=O)NCCCNC(=O)CNC(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[3-[(2-benzamidoacetyl)amino]propyl]benzamide?
The InChIKey is KQSSXYFSSBQGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c21-13-15-7-9-17(10-8-15)19(26)23-12-4-11-22-18(25)14-24-20(27)16-5-2-1-3-6-16/h1-3,5-10H,4,11-14,21H2,(H,22,25)(H,23,26)(H,24,27).
What are the key properties of 4-(aminomethyl)-N-[3-[(2-benzamidoacetyl)amino]propyl]benzamide?
4-(aminomethyl)-N-[3-[(2-benzamidoacetyl)amino]propyl]benzamide has a molecular weight of 368.44 g/mol, XLogP of 0.81, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[3-[(2-benzamidoacetyl)amino]propyl]benzamide is sourced from PubChem (CID 82097377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).