1-methyl-N-[2-oxo-2-[2-(2-phenyl-N-propylanilino)ethylamino]ethyl]pyrrole-2-carboxamide

C25H30N4O2 — CID 90320552

IUPAC1-methyl-N-[2-oxo-2-[2-(2-phenyl-N-propylanilino)ethylamino]ethyl]pyrrole-2-carboxamide
SMILESCCCN(CCNC(=O)CNC(=O)c1cccn1C)c1ccccc1-c1ccccc1
InChIInChI=1S/C25H30N4O2/c1-3-16-29(22-13-8-7-12-21(22)20-10-5-4-6-11-20)18-15-26-24(30)19-27-25(31)23-14-9-17-28(23)2/h4-14,17H,3,15-16,18-19H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyCPXPXVPVFROZHV-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.45
Rot. Bonds10

About 1-methyl-N-[2-oxo-2-[2-(2-phenyl-N-propylanilino)ethylamino]ethyl]pyrrole-2-carboxamide

1-methyl-N-[2-oxo-2-[2-(2-phenyl-N-propylanilino)ethylamino]ethyl]pyrrole-2-carboxamide (PubChem CID 90320552) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 1-methyl-N-[2-oxo-2-[2-(2-phenyl-N-propylanilino)ethylamino]ethyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-oxo-2-[2-(2-phenyl-N-propylanilino)ethylamino]ethyl]pyrrole-2-carboxamide
PubChem CID90320552
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name1-methyl-N-[2-oxo-2-[2-(2-phenyl-N-propylanilino)ethylamino]ethyl]pyrrole-2-carboxamide
SMILESCCCN(CCNC(=O)CNC(=O)c1cccn1C)c1ccccc1-c1ccccc1
InChIInChI=1S/C25H30N4O2/c1-3-16-29(22-13-8-7-12-21(22)20-10-5-4-6-11-20)18-15-26-24(30)19-27-25(31)23-14-9-17-28(23)2/h4-14,17H,3,15-16,18-19H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyCPXPXVPVFROZHV-UHFFFAOYSA-N
XLogP3.45
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;1-methyl-N-propylpyrrole-2-carboxamide
CID 143101069
N-(2-hydroxy-2-phenylethyl)-1-methylpyrrole-2-carboxamide
CID 43391337
2-[2-[[2-oxo-2-(propylamino)ethyl]carbamoyl]pyrrol-1-yl]acetic acid
CID 79324939
3-[(1-methylpyrrole-2-carbonyl)amino]-2-phenylpropanoic acid
CID 62883509
N-[2-[2-(N-methylanilino)ethylamino]-2-oxoethyl]-4-phenylbenzamide
CID 36941546
N'-butyl-N'-(2-phenylphenyl)propanehydrazide
CID 110180034
(2S)-2-hydroxy-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 107833498
2-[(1-methylpyrrole-2-carbonyl)amino]butanoic acid
CID 43469589
2,2-dimethyl-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 81369355
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 7854604
1-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrrole-2-carboxamide
CID 141062303
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-benzamidoacetate
CID 7889613

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-oxo-2-[2-(2-phenyl-N-propylanilino)ethylamino]ethyl]pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-[2-oxo-2-[2-(2-phenyl-N-propylanilino)ethylamino]ethyl]pyrrole-2-carboxamide (CID 90320552) is 1-methyl-N-[2-oxo-2-[2-(2-phenyl-N-propylanilino)ethylamino]ethyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-oxo-2-[2-(2-phenyl-N-propylanilino)ethylamino]ethyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[2-oxo-2-[2-(2-phenyl-N-propylanilino)ethylamino]ethyl]pyrrole-2-carboxamide is CCCN(CCNC(=O)CNC(=O)c1cccn1C)c1ccccc1-c1ccccc1.
What is the InChIKey of 1-methyl-N-[2-oxo-2-[2-(2-phenyl-N-propylanilino)ethylamino]ethyl]pyrrole-2-carboxamide?
The InChIKey is CPXPXVPVFROZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-3-16-29(22-13-8-7-12-21(22)20-10-5-4-6-11-20)18-15-26-24(30)19-27-25(31)23-14-9-17-28(23)2/h4-14,17H,3,15-16,18-19H2,1-2H3,(H,26,30)(H,27,31).
What are the key properties of 1-methyl-N-[2-oxo-2-[2-(2-phenyl-N-propylanilino)ethylamino]ethyl]pyrrole-2-carboxamide?
1-methyl-N-[2-oxo-2-[2-(2-phenyl-N-propylanilino)ethylamino]ethyl]pyrrole-2-carboxamide has a molecular weight of 418.54 g/mol, XLogP of 3.45, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-oxo-2-[2-(2-phenyl-N-propylanilino)ethylamino]ethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 90320552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).