N-[2-oxo-2-[2-(propylamino)ethylamino]ethyl]benzamide

C14H21N3O2 — CID 62658623

IUPACN-[2-oxo-2-[2-(propylamino)ethylamino]ethyl]benzamide
SMILESCCCNCCNC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C14H21N3O2/c1-2-8-15-9-10-16-13(18)11-17-14(19)12-6-4-3-5-7-12/h3-7,15H,2,8-11H2,1H3,(H,16,18)(H,17,19)
InChIKeyJPSNEALMTQVFPG-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.53
Rot. Bonds8

About N-[2-oxo-2-[2-(propylamino)ethylamino]ethyl]benzamide

N-[2-oxo-2-[2-(propylamino)ethylamino]ethyl]benzamide (PubChem CID 62658623) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[2-oxo-2-[2-(propylamino)ethylamino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-[2-(propylamino)ethylamino]ethyl]benzamide
PubChem CID62658623
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-[2-oxo-2-[2-(propylamino)ethylamino]ethyl]benzamide
SMILESCCCNCCNC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C14H21N3O2/c1-2-8-15-9-10-16-13(18)11-17-14(19)12-6-4-3-5-7-12/h3-7,15H,2,8-11H2,1H3,(H,16,18)(H,17,19)
InChIKeyJPSNEALMTQVFPG-UHFFFAOYSA-N
XLogP0.53
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.53
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

N-[2-[2-(2-benzamidoethylamino)ethylamino]ethyl]benzamide
CID 86227273
N-[2-[[2-[4-[[2-[(2-benzamidoacetyl)amino]acetyl]amino]butylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 101335616
N-[2-(2-aminoethylamino)-2-oxoethyl]benzamide;hydrochloride
CID 119384286
N-[2-[3-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride
CID 119432544
1-phenyl-2-[2-(propylamino)ethylamino]ethanone
CID 69282743
N-[2-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethylamino]-2-oxoethyl]benzamide
CID 108539279
N-[2-(hydroxymethylamino)ethyl]benzamide
CID 89240823
N-[2-[(2-benzamidoacetyl)amino]ethyl]-3,4,5-trihydroxybenzamide
CID 108539253
2-(2-methylphenyl)-N-[2-(propylamino)ethyl]acetamide
CID 62658241
N-[4-oxo-4-(propylamino)butyl]benzamide
CID 78795088
3-bromo-N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]benzamide;hydrochloride
CID 119505849
4-bromo-N-[2-(propylamino)ethyl]benzamide
CID 62658628

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[2-(propylamino)ethylamino]ethyl]benzamide?
The IUPAC name of N-[2-oxo-2-[2-(propylamino)ethylamino]ethyl]benzamide (CID 62658623) is N-[2-oxo-2-[2-(propylamino)ethylamino]ethyl]benzamide.
What is the SMILES notation for N-[2-oxo-2-[2-(propylamino)ethylamino]ethyl]benzamide?
The canonical SMILES for N-[2-oxo-2-[2-(propylamino)ethylamino]ethyl]benzamide is CCCNCCNC(=O)CNC(=O)c1ccccc1.
What is the InChIKey of N-[2-oxo-2-[2-(propylamino)ethylamino]ethyl]benzamide?
The InChIKey is JPSNEALMTQVFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-8-15-9-10-16-13(18)11-17-14(19)12-6-4-3-5-7-12/h3-7,15H,2,8-11H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-[2-oxo-2-[2-(propylamino)ethylamino]ethyl]benzamide?
N-[2-oxo-2-[2-(propylamino)ethylamino]ethyl]benzamide has a molecular weight of 263.34 g/mol, XLogP of 0.53, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[2-(propylamino)ethylamino]ethyl]benzamide is sourced from PubChem (CID 62658623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).