N-[3-(diethylamino)propyl]-2-[2-(methylamino)ethyl]benzamide

C17H29N3O — CID 104547307

IUPACN-[3-(diethylamino)propyl]-2-[2-(methylamino)ethyl]benzamide
SMILESCCN(CC)CCCNC(=O)c1ccccc1CCNC
InChIInChI=1S/C17H29N3O/c1-4-20(5-2)14-8-12-19-17(21)16-10-7-6-9-15(16)11-13-18-3/h6-7,9-10,18H,4-5,8,11-14H2,1-3H3,(H,19,21)
InChIKeyTTWIKOOHYNITIO-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.91
Rot. Bonds10

About N-[3-(diethylamino)propyl]-2-[2-(methylamino)ethyl]benzamide

N-[3-(diethylamino)propyl]-2-[2-(methylamino)ethyl]benzamide (PubChem CID 104547307) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-2-[2-(methylamino)ethyl]benzamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-2-[2-(methylamino)ethyl]benzamide
PubChem CID104547307
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-[3-(diethylamino)propyl]-2-[2-(methylamino)ethyl]benzamide
SMILESCCN(CC)CCCNC(=O)c1ccccc1CCNC
InChIInChI=1S/C17H29N3O/c1-4-20(5-2)14-8-12-19-17(21)16-10-7-6-9-15(16)11-13-18-3/h6-7,9-10,18H,4-5,8,11-14H2,1-3H3,(H,19,21)
InChIKeyTTWIKOOHYNITIO-UHFFFAOYSA-N
XLogP1.91
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.91
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

2-[2-(methylamino)ethyl]-N-pent-4-ynylbenzamide
CID 114160142
6-[[2-[2-(methylamino)ethyl]benzoyl]amino]hexanoic acid
CID 104547644
2-[2-(methylamino)ethyl]-N-(3-methylsulfonylpropyl)benzamide
CID 104547629
N,N-diethyl-2-[2-(methylamino)ethyl]benzamide
CID 104547231
N-ethyl-N-(2-hydroxyethyl)-2-[2-(methylamino)ethyl]benzamide
CID 104547574
N-methyl-2-[2-(methylamino)ethyl]-N-[3-(methylamino)propyl]benzamide
CID 104548124
3-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid
CID 71070439
N-(2-ethoxyethyl)-2-[2-(methylamino)ethyl]benzamide
CID 113425672
2-[2-(methylamino)ethyl]-N-prop-2-enylbenzamide
CID 104547357
2-[2-(methylamino)ethyl]-N-(3-pyrazol-1-ylpropyl)benzamide
CID 104548263
2-[2-[3-(diethylamino)propylamino]-2-oxoethyl]benzamide
CID 69088444
N-[3-(diethylamino)propyl]-2-(propylamino)benzamide
CID 62165335

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-2-[2-(methylamino)ethyl]benzamide?
The IUPAC name of N-[3-(diethylamino)propyl]-2-[2-(methylamino)ethyl]benzamide (CID 104547307) is N-[3-(diethylamino)propyl]-2-[2-(methylamino)ethyl]benzamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-2-[2-(methylamino)ethyl]benzamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-2-[2-(methylamino)ethyl]benzamide is CCN(CC)CCCNC(=O)c1ccccc1CCNC.
What is the InChIKey of N-[3-(diethylamino)propyl]-2-[2-(methylamino)ethyl]benzamide?
The InChIKey is TTWIKOOHYNITIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-20(5-2)14-8-12-19-17(21)16-10-7-6-9-15(16)11-13-18-3/h6-7,9-10,18H,4-5,8,11-14H2,1-3H3,(H,19,21).
What are the key properties of N-[3-(diethylamino)propyl]-2-[2-(methylamino)ethyl]benzamide?
N-[3-(diethylamino)propyl]-2-[2-(methylamino)ethyl]benzamide has a molecular weight of 291.44 g/mol, XLogP of 1.91, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-2-[2-(methylamino)ethyl]benzamide is sourced from PubChem (CID 104547307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).