2,4-diamino-N-[3-(diethylamino)propyl]benzamide

C14H24N4O — CID 21398349

IUPAC2,4-diamino-N-[3-(diethylamino)propyl]benzamide
SMILESCCN(CC)CCCNC(=O)c1ccc(N)cc1N
InChIInChI=1S/C14H24N4O/c1-3-18(4-2)9-5-8-17-14(19)12-7-6-11(15)10-13(12)16/h6-7,10H,3-5,8-9,15-16H2,1-2H3,(H,17,19)
InChIKeyGCUTWJNCPUCUNC-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.31
Rot. Bonds7

About 2,4-diamino-N-[3-(diethylamino)propyl]benzamide

2,4-diamino-N-[3-(diethylamino)propyl]benzamide (PubChem CID 21398349) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2,4-diamino-N-[3-(diethylamino)propyl]benzamide.

Molecular Properties

Compound Name2,4-diamino-N-[3-(diethylamino)propyl]benzamide
PubChem CID21398349
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2,4-diamino-N-[3-(diethylamino)propyl]benzamide
SMILESCCN(CC)CCCNC(=O)c1ccc(N)cc1N
InChIInChI=1S/C14H24N4O/c1-3-18(4-2)9-5-8-17-14(19)12-7-6-11(15)10-13(12)16/h6-7,10H,3-5,8-9,15-16H2,1-2H3,(H,17,19)
InChIKeyGCUTWJNCPUCUNC-UHFFFAOYSA-N
XLogP1.31
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-diamino-N-hexylbenzamide
CID 61111728
2,5-diamino-N-[2-(diethylamino)ethyl]benzamide
CID 21398311
2-amino-N-[4-(diethylamino)butyl]-5-methylbenzamide
CID 110485996
1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
2,4-diamino-N-(3-methylbutyl)benzamide
CID 61092536
2,5-dichloro-N-[3-(diethylamino)propyl]benzamide
CID 2165306
4-amino-N-[3-(diethylamino)propyl]-1H-pyrrole-2-carboxamide
CID 43642296
3-amino-5-[3-(diethylamino)propylcarbamoyl]benzoic acid
CID 139900708
5-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylbenzamide
CID 61289684
4-carbamothioyl-N-[3-(diethylamino)propyl]benzamide
CID 24690011
4-amino-N-[4-(diethylamino)butyl]-3-methylbenzamide
CID 110486010
2-bromo-N-[3-(diethylamino)propyl]-5-fluorobenzamide
CID 24694683

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-N-[3-(diethylamino)propyl]benzamide?
The IUPAC name of 2,4-diamino-N-[3-(diethylamino)propyl]benzamide (CID 21398349) is 2,4-diamino-N-[3-(diethylamino)propyl]benzamide.
What is the SMILES notation for 2,4-diamino-N-[3-(diethylamino)propyl]benzamide?
The canonical SMILES for 2,4-diamino-N-[3-(diethylamino)propyl]benzamide is CCN(CC)CCCNC(=O)c1ccc(N)cc1N.
What is the InChIKey of 2,4-diamino-N-[3-(diethylamino)propyl]benzamide?
The InChIKey is GCUTWJNCPUCUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-18(4-2)9-5-8-17-14(19)12-7-6-11(15)10-13(12)16/h6-7,10H,3-5,8-9,15-16H2,1-2H3,(H,17,19).
What are the key properties of 2,4-diamino-N-[3-(diethylamino)propyl]benzamide?
2,4-diamino-N-[3-(diethylamino)propyl]benzamide has a molecular weight of 264.37 g/mol, XLogP of 1.31, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-N-[3-(diethylamino)propyl]benzamide is sourced from PubChem (CID 21398349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).