3-amino-N-ethyl-4-(pentylamino)benzamide

C14H23N3O — CID 82999753

IUPAC3-amino-N-ethyl-4-(pentylamino)benzamide
SMILESCCCCCNc1ccc(C(=O)NCC)cc1N
InChIInChI=1S/C14H23N3O/c1-3-5-6-9-17-13-8-7-11(10-12(13)15)14(18)16-4-2/h7-8,10,17H,3-6,9,15H2,1-2H3,(H,16,18)
InChIKeyVHUPWKGTXXAZFD-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.62
Rot. Bonds7

About 3-amino-N-ethyl-4-(pentylamino)benzamide

3-amino-N-ethyl-4-(pentylamino)benzamide (PubChem CID 82999753) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-amino-N-ethyl-4-(pentylamino)benzamide.

Molecular Properties

Compound Name3-amino-N-ethyl-4-(pentylamino)benzamide
PubChem CID82999753
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-amino-N-ethyl-4-(pentylamino)benzamide
SMILESCCCCCNc1ccc(C(=O)NCC)cc1N
InChIInChI=1S/C14H23N3O/c1-3-5-6-9-17-13-8-7-11(10-12(13)15)14(18)16-4-2/h7-8,10,17H,3-6,9,15H2,1-2H3,(H,16,18)
InChIKeyVHUPWKGTXXAZFD-UHFFFAOYSA-N
XLogP2.62
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-N-ethyl-4-(5-methylhexylamino)benzamide
CID 82999486
3-amino-4-[3-(dimethylamino)propylamino]-N-ethylbenzamide
CID 83000191
3-amino-N-ethyl-4-[3-[methyl(propan-2-yl)amino]propylamino]benzamide
CID 106036691
methyl 3-[2-amino-4-(ethylcarbamoyl)anilino]propanoate
CID 82999985
3,4-diamino-N-dodecylbenzamide
CID 22411166
4-amino-3-[(4-amino-4-oxobutyl)amino]-N-ethylbenzamide
CID 63361145
3-amino-N-ethyl-4-(3-methylbut-2-enylamino)benzamide
CID 114155053
3-amino-N-ethyl-4-[2-(3-methylbutoxy)ethylamino]benzamide
CID 82990131
4-amino-N-ethyl-3-(3-methoxypropylamino)benzamide
CID 63360956
3-amino-N-ethyl-4-(2-thiomorpholin-4-ylethylamino)benzamide
CID 106324843
[3-amino-4-(butylamino)phenyl]-(4-amino-3-methylphenyl)methanone
CID 167198862
N-ethyl-4-(hexylamino)benzamide
CID 43728484

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-4-(pentylamino)benzamide?
The IUPAC name of 3-amino-N-ethyl-4-(pentylamino)benzamide (CID 82999753) is 3-amino-N-ethyl-4-(pentylamino)benzamide.
What is the SMILES notation for 3-amino-N-ethyl-4-(pentylamino)benzamide?
The canonical SMILES for 3-amino-N-ethyl-4-(pentylamino)benzamide is CCCCCNc1ccc(C(=O)NCC)cc1N.
What is the InChIKey of 3-amino-N-ethyl-4-(pentylamino)benzamide?
The InChIKey is VHUPWKGTXXAZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-5-6-9-17-13-8-7-11(10-12(13)15)14(18)16-4-2/h7-8,10,17H,3-6,9,15H2,1-2H3,(H,16,18).
What are the key properties of 3-amino-N-ethyl-4-(pentylamino)benzamide?
3-amino-N-ethyl-4-(pentylamino)benzamide has a molecular weight of 249.36 g/mol, XLogP of 2.62, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-4-(pentylamino)benzamide is sourced from PubChem (CID 82999753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).