N-[2-(dimethylamino)ethyl]-4-(octylamino)benzamide

C19H33N3O — CID 53361066

IUPACN-[2-(dimethylamino)ethyl]-4-(octylamino)benzamide
SMILESCCCCCCCCNc1ccc(C(=O)NCCN(C)C)cc1
InChIInChI=1S/C19H33N3O/c1-4-5-6-7-8-9-14-20-18-12-10-17(11-13-18)19(23)21-15-16-22(2)3/h10-13,20H,4-9,14-16H2,1-3H3,(H,21,23)
InChIKeyUAMMQPLQZVNVSI-UHFFFAOYSA-N
MW319.49 g/mol
LogP3.75
Rot. Bonds12

About N-[2-(dimethylamino)ethyl]-4-(octylamino)benzamide

N-[2-(dimethylamino)ethyl]-4-(octylamino)benzamide (PubChem CID 53361066) has the molecular formula C19H33N3O and a molecular weight of 319.49 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-(octylamino)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-(octylamino)benzamide
PubChem CID53361066
Molecular FormulaC19H33N3O
Molecular Weight319.49 g/mol
Exact Mass319.26
IUPAC NameN-[2-(dimethylamino)ethyl]-4-(octylamino)benzamide
SMILESCCCCCCCCNc1ccc(C(=O)NCCN(C)C)cc1
InChIInChI=1S/C19H33N3O/c1-4-5-6-7-8-9-14-20-18-12-10-17(11-13-18)19(23)21-15-16-22(2)3/h10-13,20H,4-9,14-16H2,1-3H3,(H,21,23)
InChIKeyUAMMQPLQZVNVSI-UHFFFAOYSA-N
XLogP3.75
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 53.75
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

N-ethyl-4-(hexylamino)benzamide
CID 43728484
N-pentyl-4-(propylamino)benzamide
CID 62185567
3-N-[2-(dimethylamino)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide
CID 109053176
4-(heptylamino)-N-propan-2-ylbenzamide
CID 60935201
N-ethyl-4-[[2-(heptylamino)-2-oxoethyl]amino]benzamide
CID 54839527
4-(dimethylamino)-N-heptylbenzamide
CID 86046283
4-[2-(dimethylamino)ethylsulfamoyl]-N-pentylbenzamide
CID 109060155
4-tert-butyl-N-nonylbenzamide
CID 4642451
1-N,4-N-bis[2-[ethyl(hexadecyl)amino]ethyl]benzene-1,4-dicarboxamide
CID 139952705
4-(dimethylamino)-N-pentylbenzamide
CID 21064504
N-cyclopropyl-4-(pentylamino)benzamide
CID 43687480
N-hexyl-4-(propanoylamino)benzamide
CID 17257310

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-(octylamino)benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-(octylamino)benzamide (CID 53361066) is N-[2-(dimethylamino)ethyl]-4-(octylamino)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-(octylamino)benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-(octylamino)benzamide is CCCCCCCCNc1ccc(C(=O)NCCN(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-(octylamino)benzamide?
The InChIKey is UAMMQPLQZVNVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O/c1-4-5-6-7-8-9-14-20-18-12-10-17(11-13-18)19(23)21-15-16-22(2)3/h10-13,20H,4-9,14-16H2,1-3H3,(H,21,23).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-(octylamino)benzamide?
N-[2-(dimethylamino)ethyl]-4-(octylamino)benzamide has a molecular weight of 319.49 g/mol, XLogP of 3.75, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-(octylamino)benzamide is sourced from PubChem (CID 53361066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).