N-(4-aminobutyl)-2-(ethylamino)benzamide

C13H21N3O — CID 55178434

IUPACN-(4-aminobutyl)-2-(ethylamino)benzamide
SMILESCCNc1ccccc1C(=O)NCCCCN
InChIInChI=1S/C13H21N3O/c1-2-15-12-8-4-3-7-11(12)13(17)16-10-6-5-9-14/h3-4,7-8,15H,2,5-6,9-10,14H2,1H3,(H,16,17)
InChIKeyLZRVPHMWHPXIPX-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.59
Rot. Bonds7

About N-(4-aminobutyl)-2-(ethylamino)benzamide

N-(4-aminobutyl)-2-(ethylamino)benzamide (PubChem CID 55178434) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(4-aminobutyl)-2-(ethylamino)benzamide.

Molecular Properties

Compound NameN-(4-aminobutyl)-2-(ethylamino)benzamide
PubChem CID55178434
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-(4-aminobutyl)-2-(ethylamino)benzamide
SMILESCCNc1ccccc1C(=O)NCCCCN
InChIInChI=1S/C13H21N3O/c1-2-15-12-8-4-3-7-11(12)13(17)16-10-6-5-9-14/h3-4,7-8,15H,2,5-6,9-10,14H2,1H3,(H,16,17)
InChIKeyLZRVPHMWHPXIPX-UHFFFAOYSA-N
XLogP1.59
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylamino)-N-(4-methoxybutyl)benzamide
CID 55047330
1-N,2-N-bis(4-aminobutyl)benzene-1,2-dicarboxamide
CID 171064318
N-(3-aminopropyl)-2-(propan-2-ylamino)benzamide
CID 63107952
N-(6-aminohexyl)-2-tert-butylbenzamide
CID 107843835
N-[3-(diethylamino)-3-oxopropyl]-2-(ethylamino)benzamide
CID 63107836
N-(10-aminodecyl)-2-hydroxybenzamide;hydrochloride
CID 10268368
N-(3-hydroxypropyl)-2-(propylamino)benzamide
CID 55178627
2-(ethylamino)-N-[2-(4-hydroxyphenyl)ethyl]benzamide
CID 62180979
2-(ethylamino)-N-(2-propan-2-yloxyethyl)benzamide
CID 113450457
2-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 62185963
2-(ethylamino)-N-(2-fluorophenyl)benzamide
CID 55042608
ethyl 2-[[2-(ethylamino)benzoyl]amino]acetate
CID 55177471

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-2-(ethylamino)benzamide?
The IUPAC name of N-(4-aminobutyl)-2-(ethylamino)benzamide (CID 55178434) is N-(4-aminobutyl)-2-(ethylamino)benzamide.
What is the SMILES notation for N-(4-aminobutyl)-2-(ethylamino)benzamide?
The canonical SMILES for N-(4-aminobutyl)-2-(ethylamino)benzamide is CCNc1ccccc1C(=O)NCCCCN.
What is the InChIKey of N-(4-aminobutyl)-2-(ethylamino)benzamide?
The InChIKey is LZRVPHMWHPXIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-15-12-8-4-3-7-11(12)13(17)16-10-6-5-9-14/h3-4,7-8,15H,2,5-6,9-10,14H2,1H3,(H,16,17).
What are the key properties of N-(4-aminobutyl)-2-(ethylamino)benzamide?
N-(4-aminobutyl)-2-(ethylamino)benzamide has a molecular weight of 235.33 g/mol, XLogP of 1.59, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-2-(ethylamino)benzamide is sourced from PubChem (CID 55178434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).