3-amino-N-ethyl-4-[3-[methyl(propan-2-yl)amino]propylamino]benzamide

C16H28N4O — CID 106036691

IUPAC3-amino-N-ethyl-4-[3-[methyl(propan-2-yl)amino]propylamino]benzamide
SMILESCCNC(=O)c1ccc(NCCCN(C)C(C)C)c(N)c1
InChIInChI=1S/C16H28N4O/c1-5-18-16(21)13-7-8-15(14(17)11-13)19-9-6-10-20(4)12(2)3/h7-8,11-12,19H,5-6,9-10,17H2,1-4H3,(H,18,21)
InChIKeyQIFLOVNAQGWOHA-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.16
Rot. Bonds8

About 3-amino-N-ethyl-4-[3-[methyl(propan-2-yl)amino]propylamino]benzamide

3-amino-N-ethyl-4-[3-[methyl(propan-2-yl)amino]propylamino]benzamide (PubChem CID 106036691) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 3-amino-N-ethyl-4-[3-[methyl(propan-2-yl)amino]propylamino]benzamide.

Molecular Properties

Compound Name3-amino-N-ethyl-4-[3-[methyl(propan-2-yl)amino]propylamino]benzamide
PubChem CID106036691
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name3-amino-N-ethyl-4-[3-[methyl(propan-2-yl)amino]propylamino]benzamide
SMILESCCNC(=O)c1ccc(NCCCN(C)C(C)C)c(N)c1
InChIInChI=1S/C16H28N4O/c1-5-18-16(21)13-7-8-15(14(17)11-13)19-9-6-10-20(4)12(2)3/h7-8,11-12,19H,5-6,9-10,17H2,1-4H3,(H,18,21)
InChIKeyQIFLOVNAQGWOHA-UHFFFAOYSA-N
XLogP2.16
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.16
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

3-amino-4-[3-(dimethylamino)propylamino]-N-ethylbenzamide
CID 83000191
3-amino-N-ethyl-4-(5-methylhexylamino)benzamide
CID 82999486
3-amino-N-ethyl-4-(pentylamino)benzamide
CID 82999753
3-amino-N-ethyl-4-[2-(3-methylbutoxy)ethylamino]benzamide
CID 82990131
methyl 3-[2-amino-4-(ethylcarbamoyl)anilino]propanoate
CID 82999985
3-amino-4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-ethylbenzamide
CID 82993299
4-amino-N-ethyl-3-(3-methoxypropylamino)benzamide
CID 63360956
3-amino-4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 55097599
3-amino-N-ethyl-4-[(2-hydroxy-2,4-dimethylpentyl)amino]benzamide
CID 82990428
3-amino-N-ethyl-4-[2-(2-hydroxyethyl)pentylamino]benzamide
CID 106113866
3-amino-N-ethyl-4-(3-methylbut-2-enylamino)benzamide
CID 114155053
4-amino-3-[(4-amino-4-oxobutyl)amino]-N-ethylbenzamide
CID 63361145

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-4-[3-[methyl(propan-2-yl)amino]propylamino]benzamide?
The IUPAC name of 3-amino-N-ethyl-4-[3-[methyl(propan-2-yl)amino]propylamino]benzamide (CID 106036691) is 3-amino-N-ethyl-4-[3-[methyl(propan-2-yl)amino]propylamino]benzamide.
What is the SMILES notation for 3-amino-N-ethyl-4-[3-[methyl(propan-2-yl)amino]propylamino]benzamide?
The canonical SMILES for 3-amino-N-ethyl-4-[3-[methyl(propan-2-yl)amino]propylamino]benzamide is CCNC(=O)c1ccc(NCCCN(C)C(C)C)c(N)c1.
What is the InChIKey of 3-amino-N-ethyl-4-[3-[methyl(propan-2-yl)amino]propylamino]benzamide?
The InChIKey is QIFLOVNAQGWOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-5-18-16(21)13-7-8-15(14(17)11-13)19-9-6-10-20(4)12(2)3/h7-8,11-12,19H,5-6,9-10,17H2,1-4H3,(H,18,21).
What are the key properties of 3-amino-N-ethyl-4-[3-[methyl(propan-2-yl)amino]propylamino]benzamide?
3-amino-N-ethyl-4-[3-[methyl(propan-2-yl)amino]propylamino]benzamide has a molecular weight of 292.43 g/mol, XLogP of 2.16, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-4-[3-[methyl(propan-2-yl)amino]propylamino]benzamide is sourced from PubChem (CID 106036691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).