4-[[2-[ethyl(propyl)amino]ethylamino]methyl]benzamide

C15H25N3O — CID 103720708

IUPAC4-[[2-[ethyl(propyl)amino]ethylamino]methyl]benzamide
SMILESCCCN(CC)CCNCc1ccc(C(N)=O)cc1
InChIInChI=1S/C15H25N3O/c1-3-10-18(4-2)11-9-17-12-13-5-7-14(8-6-13)15(16)19/h5-8,17H,3-4,9-12H2,1-2H3,(H2,16,19)
InChIKeyGTMFTIOHXZNVQQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.61
Rot. Bonds9

About 4-[[2-[ethyl(propyl)amino]ethylamino]methyl]benzamide

4-[[2-[ethyl(propyl)amino]ethylamino]methyl]benzamide (PubChem CID 103720708) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[[2-[ethyl(propyl)amino]ethylamino]methyl]benzamide.

Molecular Properties

Compound Name4-[[2-[ethyl(propyl)amino]ethylamino]methyl]benzamide
PubChem CID103720708
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-[[2-[ethyl(propyl)amino]ethylamino]methyl]benzamide
SMILESCCCN(CC)CCNCc1ccc(C(N)=O)cc1
InChIInChI=1S/C15H25N3O/c1-3-10-18(4-2)11-9-17-12-13-5-7-14(8-6-13)15(16)19/h5-8,17H,3-4,9-12H2,1-2H3,(H2,16,19)
InChIKeyGTMFTIOHXZNVQQ-UHFFFAOYSA-N
XLogP1.61
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.61
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

Procarbazine
CID 4915
N,N-diethyl-m-toluamide
CID 4284
Procarbazine Hydrochloride
CID 9703
N-Methylbenzamide
CID 11954
N,N-Diethylbenzamide
CID 15542
1-(4-Benzoyl-1-piperazinyl)-1-propanone
CID 4223812
N-Propylbenzamide
CID 25354
Amylase
CID 71475145
AR-M1000390
CID 9841259
N-Ethylbenzamide
CID 11959
N,N-Dimethylbenzamide
CID 11916
N-Butylbenzamide
CID 76024

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[ethyl(propyl)amino]ethylamino]methyl]benzamide?
The IUPAC name of 4-[[2-[ethyl(propyl)amino]ethylamino]methyl]benzamide (CID 103720708) is 4-[[2-[ethyl(propyl)amino]ethylamino]methyl]benzamide.
What is the SMILES notation for 4-[[2-[ethyl(propyl)amino]ethylamino]methyl]benzamide?
The canonical SMILES for 4-[[2-[ethyl(propyl)amino]ethylamino]methyl]benzamide is CCCN(CC)CCNCc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[2-[ethyl(propyl)amino]ethylamino]methyl]benzamide?
The InChIKey is GTMFTIOHXZNVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-10-18(4-2)11-9-17-12-13-5-7-14(8-6-13)15(16)19/h5-8,17H,3-4,9-12H2,1-2H3,(H2,16,19).
What are the key properties of 4-[[2-[ethyl(propyl)amino]ethylamino]methyl]benzamide?
4-[[2-[ethyl(propyl)amino]ethylamino]methyl]benzamide has a molecular weight of 263.38 g/mol, XLogP of 1.61, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[ethyl(propyl)amino]ethylamino]methyl]benzamide is sourced from PubChem (CID 103720708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).