N-[2-oxo-2-(3-pyrrol-1-ylpropylamino)ethyl]benzamide

C16H19N3O2 — CID 90500499

IUPACN-[2-oxo-2-(3-pyrrol-1-ylpropylamino)ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NCCCn1cccc1
InChIInChI=1S/C16H19N3O2/c20-15(17-9-6-12-19-10-4-5-11-19)13-18-16(21)14-7-2-1-3-8-14/h1-5,7-8,10-11H,6,9,12-13H2,(H,17,20)(H,18,21)
InChIKeyORHKXOKEQQNIOG-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.42
Rot. Bonds7

About N-[2-oxo-2-(3-pyrrol-1-ylpropylamino)ethyl]benzamide

N-[2-oxo-2-(3-pyrrol-1-ylpropylamino)ethyl]benzamide (PubChem CID 90500499) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[2-oxo-2-(3-pyrrol-1-ylpropylamino)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-(3-pyrrol-1-ylpropylamino)ethyl]benzamide
PubChem CID90500499
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[2-oxo-2-(3-pyrrol-1-ylpropylamino)ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NCCCn1cccc1
InChIInChI=1S/C16H19N3O2/c20-15(17-9-6-12-19-10-4-5-11-19)13-18-16(21)14-7-2-1-3-8-14/h1-5,7-8,10-11H,6,9,12-13H2,(H,17,20)(H,18,21)
InChIKeyORHKXOKEQQNIOG-UHFFFAOYSA-N
XLogP1.42
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.42
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-[2-[[2-[4-[[2-[(2-benzamidoacetyl)amino]acetyl]amino]butylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 101335616
N-[2-(4-imidazol-1-ylbutylamino)-2-oxoethyl]benzamide
CID 110443115
methyl 4-(3-pyrrol-1-ylpropylcarbamoyl)benzoate
CID 90500522
N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]benzamide;hydrochloride
CID 119393183
N-[2-[3-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride
CID 119432544
N-[2-[3-[(2-cyanoacetyl)amino]propylamino]-2-oxoethyl]benzamide
CID 108924260
2-(2-methylphenyl)-N-(3-pyrrol-1-ylpropyl)acetamide
CID 110721082
N-[2-(2-aminoethylamino)-2-oxoethyl]benzamide;hydrochloride
CID 119384286
N-[2-(3-azidopropylamino)-2-oxoethyl]benzamide
CID 61344378
4-(aminomethyl)-N-[3-[(2-benzamidoacetyl)amino]propyl]benzamide
CID 82097377
N-(3-pyrrol-1-ylpropyl)pyridine-3-carboxamide
CID 90500651
N-[2-[3-(N-ethylanilino)propylamino]-2-oxoethyl]benzamide
CID 41278360

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(3-pyrrol-1-ylpropylamino)ethyl]benzamide?
The IUPAC name of N-[2-oxo-2-(3-pyrrol-1-ylpropylamino)ethyl]benzamide (CID 90500499) is N-[2-oxo-2-(3-pyrrol-1-ylpropylamino)ethyl]benzamide.
What is the SMILES notation for N-[2-oxo-2-(3-pyrrol-1-ylpropylamino)ethyl]benzamide?
The canonical SMILES for N-[2-oxo-2-(3-pyrrol-1-ylpropylamino)ethyl]benzamide is O=C(CNC(=O)c1ccccc1)NCCCn1cccc1.
What is the InChIKey of N-[2-oxo-2-(3-pyrrol-1-ylpropylamino)ethyl]benzamide?
The InChIKey is ORHKXOKEQQNIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-15(17-9-6-12-19-10-4-5-11-19)13-18-16(21)14-7-2-1-3-8-14/h1-5,7-8,10-11H,6,9,12-13H2,(H,17,20)(H,18,21).
What are the key properties of N-[2-oxo-2-(3-pyrrol-1-ylpropylamino)ethyl]benzamide?
N-[2-oxo-2-(3-pyrrol-1-ylpropylamino)ethyl]benzamide has a molecular weight of 285.35 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(3-pyrrol-1-ylpropylamino)ethyl]benzamide is sourced from PubChem (CID 90500499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).