N-[2-[2-(2-benzamidoethylamino)ethylamino]ethyl]benzamide

C20H26N4O2 — CID 86227273

IUPACN-[2-[2-(2-benzamidoethylamino)ethylamino]ethyl]benzamide
SMILESO=C(NCCNCCNCCNC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26N4O2/c25-19(17-7-3-1-4-8-17)23-15-13-21-11-12-22-14-16-24-20(26)18-9-5-2-6-10-18/h1-10,21-22H,11-16H2,(H,23,25)(H,24,26)
InChIKeyRABDLALRKWJHAO-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.03
Rot. Bonds11

About N-[2-[2-(2-benzamidoethylamino)ethylamino]ethyl]benzamide

N-[2-[2-(2-benzamidoethylamino)ethylamino]ethyl]benzamide (PubChem CID 86227273) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[2-[2-(2-benzamidoethylamino)ethylamino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[2-(2-benzamidoethylamino)ethylamino]ethyl]benzamide
PubChem CID86227273
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-[2-[2-(2-benzamidoethylamino)ethylamino]ethyl]benzamide
SMILESO=C(NCCNCCNCCNC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26N4O2/c25-19(17-7-3-1-4-8-17)23-15-13-21-11-12-22-14-16-24-20(26)18-9-5-2-6-10-18/h1-10,21-22H,11-16H2,(H,23,25)(H,24,26)
InChIKeyRABDLALRKWJHAO-UHFFFAOYSA-N
XLogP1.03
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.03
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

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N-(2-benzamidoethyl)-4-ethylbenzamide
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N-(2-aminoethyl)benzamide;ethane
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N-[2-(cyclobutene-1-carbonylamino)ethyl]benzamide
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N-(2-benzamidoethyl)-4-(dimethylamino)benzamide
CID 38175898
N-[2-(pyrimidin-2-ylamino)ethyl]benzamide
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N-(2-benzamidoethyl)-2-phenylpyrimidine-5-carboxamide
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CID 151467935

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-benzamidoethylamino)ethylamino]ethyl]benzamide?
The IUPAC name of N-[2-[2-(2-benzamidoethylamino)ethylamino]ethyl]benzamide (CID 86227273) is N-[2-[2-(2-benzamidoethylamino)ethylamino]ethyl]benzamide.
What is the SMILES notation for N-[2-[2-(2-benzamidoethylamino)ethylamino]ethyl]benzamide?
The canonical SMILES for N-[2-[2-(2-benzamidoethylamino)ethylamino]ethyl]benzamide is O=C(NCCNCCNCCNC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-[2-(2-benzamidoethylamino)ethylamino]ethyl]benzamide?
The InChIKey is RABDLALRKWJHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c25-19(17-7-3-1-4-8-17)23-15-13-21-11-12-22-14-16-24-20(26)18-9-5-2-6-10-18/h1-10,21-22H,11-16H2,(H,23,25)(H,24,26).
What are the key properties of N-[2-[2-(2-benzamidoethylamino)ethylamino]ethyl]benzamide?
N-[2-[2-(2-benzamidoethylamino)ethylamino]ethyl]benzamide has a molecular weight of 354.45 g/mol, XLogP of 1.03, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-benzamidoethylamino)ethylamino]ethyl]benzamide is sourced from PubChem (CID 86227273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).