4-[[2-(diethylamino)ethylamino]methyl]benzamide

C14H23N3O — CID 28580136

IUPAC4-[[2-(diethylamino)ethylamino]methyl]benzamide
SMILESCCN(CC)CCNCc1ccc(C(N)=O)cc1
InChIInChI=1S/C14H23N3O/c1-3-17(4-2)10-9-16-11-12-5-7-13(8-6-12)14(15)18/h5-8,16H,3-4,9-11H2,1-2H3,(H2,15,18)
InChIKeyKKDFZBAXLABWJL-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.22
Rot. Bonds8

About 4-[[2-(diethylamino)ethylamino]methyl]benzamide

4-[[2-(diethylamino)ethylamino]methyl]benzamide (PubChem CID 28580136) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-[[2-(diethylamino)ethylamino]methyl]benzamide.

Molecular Properties

Compound Name4-[[2-(diethylamino)ethylamino]methyl]benzamide
PubChem CID28580136
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-[[2-(diethylamino)ethylamino]methyl]benzamide
SMILESCCN(CC)CCNCc1ccc(C(N)=O)cc1
InChIInChI=1S/C14H23N3O/c1-3-17(4-2)10-9-16-11-12-5-7-13(8-6-12)14(15)18/h5-8,16H,3-4,9-11H2,1-2H3,(H2,15,18)
InChIKeyKKDFZBAXLABWJL-UHFFFAOYSA-N
XLogP1.22
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-[ethyl(propyl)amino]ethylamino]methyl]benzamide
CID 103720708
4-[[(3-amino-3-oxopropyl)amino]methyl]benzamide
CID 43420714
4-[4-[2-(diethylamino)ethylamino]butoxy]benzamide
CID 19869411
4-[[[3-(ethylamino)-3-oxopropyl]amino]methyl]benzamide
CID 113409672
N',N'-diethyl-N-[(4-fluorophenyl)methyl]ethane-1,2-diamine;dihydrochloride
CID 17294526
5-[[2-(diethylamino)ethylamino]methyl]-1-benzofuran-2-carboxylic acid
CID 103234103
4-[(pent-3-ynylamino)methyl]benzamide
CID 116642949
4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]benzamide
CID 113258300
N',N'-diethyl-N-[(4-propan-2-ylphenyl)methyl]ethane-1,2-diamine;dihydrochloride
CID 17331877
4-[(2-methylbutylamino)methyl]benzamide
CID 62693490
N',N'-diethyl-N-[[4-(4-fluorophenyl)phenyl]methyl]ethane-1,2-diamine
CID 143241921
4-[(4-methylsulfanylbutylamino)methyl]benzamide
CID 113239088

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(diethylamino)ethylamino]methyl]benzamide?
The IUPAC name of 4-[[2-(diethylamino)ethylamino]methyl]benzamide (CID 28580136) is 4-[[2-(diethylamino)ethylamino]methyl]benzamide.
What is the SMILES notation for 4-[[2-(diethylamino)ethylamino]methyl]benzamide?
The canonical SMILES for 4-[[2-(diethylamino)ethylamino]methyl]benzamide is CCN(CC)CCNCc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[2-(diethylamino)ethylamino]methyl]benzamide?
The InChIKey is KKDFZBAXLABWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-17(4-2)10-9-16-11-12-5-7-13(8-6-12)14(15)18/h5-8,16H,3-4,9-11H2,1-2H3,(H2,15,18).
What are the key properties of 4-[[2-(diethylamino)ethylamino]methyl]benzamide?
4-[[2-(diethylamino)ethylamino]methyl]benzamide has a molecular weight of 249.36 g/mol, XLogP of 1.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(diethylamino)ethylamino]methyl]benzamide is sourced from PubChem (CID 28580136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).