4-acetyl-N-[[4-[1-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]ethyl]phenyl]methyl]-1-methylpyrrole-2-carboxamide

C25H28N4O4 — CID 154837440

IUPAC4-acetyl-N-[[4-[1-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]ethyl]phenyl]methyl]-1-methylpyrrole-2-carboxamide
SMILESCC(=O)c1cc(C(=O)NCc2ccc(C(C)NC(=O)c3cc(C(C)=O)cn3C)cc2)n(C)c1
InChIInChI=1S/C25H28N4O4/c1-15(27-25(33)23-11-21(17(3)31)14-29(23)5)19-8-6-18(7-9-19)12-26-24(32)22-10-20(16(2)30)13-28(22)4/h6-11,13-15H,12H2,1-5H3,(H,26,32)(H,27,33)
InChIKeyUCJVFSJXCJKVGT-UHFFFAOYSA-N
MW448.52 g/mol
LogP3.19
Rot. Bonds8

About 4-acetyl-N-[[4-[1-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]ethyl]phenyl]methyl]-1-methylpyrrole-2-carboxamide

4-acetyl-N-[[4-[1-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]ethyl]phenyl]methyl]-1-methylpyrrole-2-carboxamide (PubChem CID 154837440) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is 4-acetyl-N-[[4-[1-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]ethyl]phenyl]methyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[[4-[1-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]ethyl]phenyl]methyl]-1-methylpyrrole-2-carboxamide
PubChem CID154837440
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC Name4-acetyl-N-[[4-[1-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]ethyl]phenyl]methyl]-1-methylpyrrole-2-carboxamide
SMILESCC(=O)c1cc(C(=O)NCc2ccc(C(C)NC(=O)c3cc(C(C)=O)cn3C)cc2)n(C)c1
InChIInChI=1S/C25H28N4O4/c1-15(27-25(33)23-11-21(17(3)31)14-29(23)5)19-8-6-18(7-9-19)12-26-24(32)22-10-20(16(2)30)13-28(22)4/h6-11,13-15H,12H2,1-5H3,(H,26,32)(H,27,33)
InChIKeyUCJVFSJXCJKVGT-UHFFFAOYSA-N
XLogP3.19
TPSA102.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-acetyl-N-[[4-[1-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]ethyl]phenyl]methyl]-1-methylpyrrole-2-carboxamide with MolForge

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Related Compounds

4-acetyl-N-[[3-(hydroxymethyl)phenyl]methyl]-1-methylpyrrole-2-carboxamide
CID 63311485
4-acetyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-methylpyrrole-2-carboxamide
CID 51258267
4-acetyl-N-[(2R)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide
CID 83039564
4-bromo-N-[1-(4-ethylphenyl)ethyl]-1-methylpyrrole-2-carboxamide
CID 60698404
2-N,4-N-bis[(3,4-dihydroxyphenyl)methyl]-1-methylpyrrole-2,4-dicarboxamide
CID 67598436
4-acetyl-1-methyl-N-[2-(methylamino)propyl]pyrrole-2-carboxamide;hydrochloride
CID 120832160
(2R)-2-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]-3-methylbutanoic acid
CID 30064792
methyl (2S)-2-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]propanoate
CID 47337732
4-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]-2-methylbutanoic acid
CID 80538491
3-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]-3-(4-tert-butylphenyl)propanoic acid
CID 119210017
4-bromo-1-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]pyrrole-2-carboxamide
CID 60698414
(2S)-3-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 114006451

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[[4-[1-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]ethyl]phenyl]methyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[[4-[1-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]ethyl]phenyl]methyl]-1-methylpyrrole-2-carboxamide (CID 154837440) is 4-acetyl-N-[[4-[1-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]ethyl]phenyl]methyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[[4-[1-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]ethyl]phenyl]methyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[[4-[1-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]ethyl]phenyl]methyl]-1-methylpyrrole-2-carboxamide is CC(=O)c1cc(C(=O)NCc2ccc(C(C)NC(=O)c3cc(C(C)=O)cn3C)cc2)n(C)c1.
What is the InChIKey of 4-acetyl-N-[[4-[1-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]ethyl]phenyl]methyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is UCJVFSJXCJKVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-15(27-25(33)23-11-21(17(3)31)14-29(23)5)19-8-6-18(7-9-19)12-26-24(32)22-10-20(16(2)30)13-28(22)4/h6-11,13-15H,12H2,1-5H3,(H,26,32)(H,27,33).
What are the key properties of 4-acetyl-N-[[4-[1-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]ethyl]phenyl]methyl]-1-methylpyrrole-2-carboxamide?
4-acetyl-N-[[4-[1-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]ethyl]phenyl]methyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 448.52 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[[4-[1-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]ethyl]phenyl]methyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 154837440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).