2,5-diamino-N-[2-(diethylamino)ethyl]benzamide

C13H22N4O — CID 21398311

IUPAC2,5-diamino-N-[2-(diethylamino)ethyl]benzamide
SMILESCCN(CC)CCNC(=O)c1cc(N)ccc1N
InChIInChI=1S/C13H22N4O/c1-3-17(4-2)8-7-16-13(18)11-9-10(14)5-6-12(11)15/h5-6,9H,3-4,7-8,14-15H2,1-2H3,(H,16,18)
InChIKeyDRSACKLAHLJYFZ-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.92
Rot. Bonds6

About 2,5-diamino-N-[2-(diethylamino)ethyl]benzamide

2,5-diamino-N-[2-(diethylamino)ethyl]benzamide (PubChem CID 21398311) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2,5-diamino-N-[2-(diethylamino)ethyl]benzamide.

Molecular Properties

Compound Name2,5-diamino-N-[2-(diethylamino)ethyl]benzamide
PubChem CID21398311
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2,5-diamino-N-[2-(diethylamino)ethyl]benzamide
SMILESCCN(CC)CCNC(=O)c1cc(N)ccc1N
InChIInChI=1S/C13H22N4O/c1-3-17(4-2)8-7-16-13(18)11-9-10(14)5-6-12(11)15/h5-6,9H,3-4,7-8,14-15H2,1-2H3,(H,16,18)
InChIKeyDRSACKLAHLJYFZ-UHFFFAOYSA-N
XLogP0.92
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-diamino-N-[3-(diethylamino)propyl]benzamide
CID 21398349
3-acetyl-4-amino-N-[2-(diethylamino)ethyl]benzamide
CID 143395890
2-amino-N-[2-(diethylamino)ethyl]-5-(2-ethylbutanoylamino)benzamide
CID 123784863
2-amino-N-[4-(diethylamino)butyl]-5-methylbenzamide
CID 110485996
4-amino-5-bromo-N-[2-(diethylamino)ethyl]-2-hydroxybenzamide
CID 102129592
5-amino-2-bromo-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 62635721
4-amino-N-[2-(diethylamino)ethyl]benzamide;copper;hydrochloride
CID 70426685
4-amino-N-[2-(diethylamino)ethyl]-3-hydroxybenzamide
CID 18999797
4-amino-N-[2-(diethylamino)ethyl]-3-iodobenzamide
CID 112750715
5-amino-2-(dimethylamino)-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 62634675
4-amino-N-[2-(diethylamino)ethyl]-3-methoxybenzamide
CID 58155168
4-bromo-N-[2-(diethylamino)ethyl]-2-sulfanylbenzamide
CID 107019687

Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-N-[2-(diethylamino)ethyl]benzamide?
The IUPAC name of 2,5-diamino-N-[2-(diethylamino)ethyl]benzamide (CID 21398311) is 2,5-diamino-N-[2-(diethylamino)ethyl]benzamide.
What is the SMILES notation for 2,5-diamino-N-[2-(diethylamino)ethyl]benzamide?
The canonical SMILES for 2,5-diamino-N-[2-(diethylamino)ethyl]benzamide is CCN(CC)CCNC(=O)c1cc(N)ccc1N.
What is the InChIKey of 2,5-diamino-N-[2-(diethylamino)ethyl]benzamide?
The InChIKey is DRSACKLAHLJYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-17(4-2)8-7-16-13(18)11-9-10(14)5-6-12(11)15/h5-6,9H,3-4,7-8,14-15H2,1-2H3,(H,16,18).
What are the key properties of 2,5-diamino-N-[2-(diethylamino)ethyl]benzamide?
2,5-diamino-N-[2-(diethylamino)ethyl]benzamide has a molecular weight of 250.35 g/mol, XLogP of 0.92, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-N-[2-(diethylamino)ethyl]benzamide is sourced from PubChem (CID 21398311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).