4-acetyl-3-ethyl-5-methyl-N-(3-methyl-2-phenylbutyl)-1H-pyrrole-2-carboxamide

C21H28N2O2 — CID 60511170

IUPAC4-acetyl-3-ethyl-5-methyl-N-(3-methyl-2-phenylbutyl)-1H-pyrrole-2-carboxamide
SMILESCCc1c(C(=O)NCC(c2ccccc2)C(C)C)[nH]c(C)c1C(C)=O
InChIInChI=1S/C21H28N2O2/c1-6-17-19(15(5)24)14(4)23-20(17)21(25)22-12-18(13(2)3)16-10-8-7-9-11-16/h7-11,13,18,23H,6,12H2,1-5H3,(H,22,25)
InChIKeyAIHMTFGZFMKNLT-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.26
Rot. Bonds7

About 4-acetyl-3-ethyl-5-methyl-N-(3-methyl-2-phenylbutyl)-1H-pyrrole-2-carboxamide

4-acetyl-3-ethyl-5-methyl-N-(3-methyl-2-phenylbutyl)-1H-pyrrole-2-carboxamide (PubChem CID 60511170) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 4-acetyl-3-ethyl-5-methyl-N-(3-methyl-2-phenylbutyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-3-ethyl-5-methyl-N-(3-methyl-2-phenylbutyl)-1H-pyrrole-2-carboxamide
PubChem CID60511170
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name4-acetyl-3-ethyl-5-methyl-N-(3-methyl-2-phenylbutyl)-1H-pyrrole-2-carboxamide
SMILESCCc1c(C(=O)NCC(c2ccccc2)C(C)C)[nH]c(C)c1C(C)=O
InChIInChI=1S/C21H28N2O2/c1-6-17-19(15(5)24)14(4)23-20(17)21(25)22-12-18(13(2)3)16-10-8-7-9-11-16/h7-11,13,18,23H,6,12H2,1-5H3,(H,22,25)
InChIKeyAIHMTFGZFMKNLT-UHFFFAOYSA-N
XLogP4.26
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)amino]-2-phenylpropanoic acid
CID 119254874
4-acetyl-N-(2-amino-2-phenylethyl)-5-methyl-3-propyl-1H-pyrrole-2-carboxamide
CID 119528709
4-acetyl-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide;hydrochloride
CID 119526236
methyl (2R)-2-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)amino]-2-phenylacetate
CID 95295438
4-acetyl-3-ethyl-N-[(2R)-2-(ethylamino)propyl]-5-methyl-1H-pyrrole-2-carboxamide;hydrochloride
CID 120654198
4-acetyl-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
CID 55949481
2-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-methylbutanoic acid
CID 119136993
4-acetyl-3-ethyl-5-methyl-N-[(2-methylcyclopropyl)-phenylmethyl]-1H-pyrrole-2-carboxamide
CID 86956197
4-acetyl-N-[1-(3-bromophenyl)ethyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
CID 60506259
4-acetyl-N-[2,6-di(propan-2-yl)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
CID 60527517
4-acetyl-3-ethyl-N-(3-hydroxy-2,2,4-trimethylpentyl)-5-methyl-1H-pyrrole-2-carboxamide
CID 109381141
3-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 119237217

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3-ethyl-5-methyl-N-(3-methyl-2-phenylbutyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-3-ethyl-5-methyl-N-(3-methyl-2-phenylbutyl)-1H-pyrrole-2-carboxamide (CID 60511170) is 4-acetyl-3-ethyl-5-methyl-N-(3-methyl-2-phenylbutyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-3-ethyl-5-methyl-N-(3-methyl-2-phenylbutyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-3-ethyl-5-methyl-N-(3-methyl-2-phenylbutyl)-1H-pyrrole-2-carboxamide is CCc1c(C(=O)NCC(c2ccccc2)C(C)C)[nH]c(C)c1C(C)=O.
What is the InChIKey of 4-acetyl-3-ethyl-5-methyl-N-(3-methyl-2-phenylbutyl)-1H-pyrrole-2-carboxamide?
The InChIKey is AIHMTFGZFMKNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-6-17-19(15(5)24)14(4)23-20(17)21(25)22-12-18(13(2)3)16-10-8-7-9-11-16/h7-11,13,18,23H,6,12H2,1-5H3,(H,22,25).
What are the key properties of 4-acetyl-3-ethyl-5-methyl-N-(3-methyl-2-phenylbutyl)-1H-pyrrole-2-carboxamide?
4-acetyl-3-ethyl-5-methyl-N-(3-methyl-2-phenylbutyl)-1H-pyrrole-2-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3-ethyl-5-methyl-N-(3-methyl-2-phenylbutyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 60511170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).