N-(2-aminoethyl)-2-(4-benzamidobutanoylamino)benzamide

C20H24N4O3 — CID 120604009

IUPACN-(2-aminoethyl)-2-(4-benzamidobutanoylamino)benzamide
SMILESNCCNC(=O)c1ccccc1NC(=O)CCCNC(=O)c1ccccc1
InChIInChI=1S/C20H24N4O3/c21-12-14-23-20(27)16-9-4-5-10-17(16)24-18(25)11-6-13-22-19(26)15-7-2-1-3-8-15/h1-5,7-10H,6,11-14,21H2,(H,22,26)(H,23,27)(H,24,25)
InChIKeyCZLUCXUWAWIETC-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.52
Rot. Bonds9

About N-(2-aminoethyl)-2-(4-benzamidobutanoylamino)benzamide

N-(2-aminoethyl)-2-(4-benzamidobutanoylamino)benzamide (PubChem CID 120604009) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(4-benzamidobutanoylamino)benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(4-benzamidobutanoylamino)benzamide
PubChem CID120604009
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-(2-aminoethyl)-2-(4-benzamidobutanoylamino)benzamide
SMILESNCCNC(=O)c1ccccc1NC(=O)CCCNC(=O)c1ccccc1
InChIInChI=1S/C20H24N4O3/c21-12-14-23-20(27)16-9-4-5-10-17(16)24-18(25)11-6-13-22-19(26)15-7-2-1-3-8-15/h1-5,7-10H,6,11-14,21H2,(H,22,26)(H,23,27)(H,24,25)
InChIKeyCZLUCXUWAWIETC-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
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-[5-(2-aminoanilino)-5-oxopentyl]benzamide
CID 155547009
N-[2-(2-aminoethylcarbamoyl)phenyl]-N',N'-dimethylpentanediamide
CID 120603511
N-(2-aminoethyl)-2-(4-ethoxybutanoylamino)benzamide
CID 107000016
N-(2-aminoethyl)-2-(4,4-dimethylpentanoylamino)benzamide
CID 120604437
N-(2-aminoethyl)-2-(but-3-enoylamino)benzamide
CID 106999671
N,N'-bis[2-(butylcarbamoyl)phenyl]hexanediamide
CID 17149668
N-[4-(2-methoxyanilino)-4-oxobutyl]benzamide
CID 29371184
N,N'-bis[2-(3-methoxypropylcarbamoyl)phenyl]hexanediamide
CID 17148582
N-(4-hydrazinyl-4-oxobutyl)benzamide
CID 4736868
N-[4-(2,5-dichloroanilino)-4-oxobutyl]benzamide
CID 46809375
N-[4-(2,5-difluoroanilino)-4-oxobutyl]benzamide
CID 39753880
N-(2-aminoethyl)-2-[[2-(butanoylamino)acetyl]amino]benzamide
CID 120603546

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(4-benzamidobutanoylamino)benzamide?
The IUPAC name of N-(2-aminoethyl)-2-(4-benzamidobutanoylamino)benzamide (CID 120604009) is N-(2-aminoethyl)-2-(4-benzamidobutanoylamino)benzamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(4-benzamidobutanoylamino)benzamide?
The canonical SMILES for N-(2-aminoethyl)-2-(4-benzamidobutanoylamino)benzamide is NCCNC(=O)c1ccccc1NC(=O)CCCNC(=O)c1ccccc1.
What is the InChIKey of N-(2-aminoethyl)-2-(4-benzamidobutanoylamino)benzamide?
The InChIKey is CZLUCXUWAWIETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c21-12-14-23-20(27)16-9-4-5-10-17(16)24-18(25)11-6-13-22-19(26)15-7-2-1-3-8-15/h1-5,7-10H,6,11-14,21H2,(H,22,26)(H,23,27)(H,24,25).
What are the key properties of N-(2-aminoethyl)-2-(4-benzamidobutanoylamino)benzamide?
N-(2-aminoethyl)-2-(4-benzamidobutanoylamino)benzamide has a molecular weight of 368.44 g/mol, XLogP of 1.52, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(4-benzamidobutanoylamino)benzamide is sourced from PubChem (CID 120604009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).