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

C20H28N2O2 — CID 112844893

IUPAC4-acetyl-N-(2-adamantyl)-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
SMILESCCc1c(C(=O)NC2C3CC4CC(C3)CC2C4)[nH]c(C)c1C(C)=O
InChIInChI=1S/C20H28N2O2/c1-4-16-17(11(3)23)10(2)21-19(16)20(24)22-18-14-6-12-5-13(8-14)9-15(18)7-12/h12-15,18,21H,4-9H2,1-3H3,(H,22,24)
InChIKeyBOHMKGGJGRQDSB-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.64
Rot. Bonds4

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

4-acetyl-N-(2-adamantyl)-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide (PubChem CID 112844893) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 4-acetyl-N-(2-adamantyl)-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(2-adamantyl)-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
PubChem CID112844893
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name4-acetyl-N-(2-adamantyl)-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
SMILESCCc1c(C(=O)NC2C3CC4CC(C3)CC2C4)[nH]c(C)c1C(C)=O
InChIInChI=1S/C20H28N2O2/c1-4-16-17(11(3)23)10(2)21-19(16)20(24)22-18-14-6-12-5-13(8-14)9-15(18)7-12/h12-15,18,21H,4-9H2,1-3H3,(H,22,24)
InChIKeyBOHMKGGJGRQDSB-UHFFFAOYSA-N
XLogP3.64
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-acetyl-N-cycloheptyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
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4-acetyl-3-ethyl-N-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-5-methyl-1H-pyrrole-2-carboxamide
CID 95290843
4-acetyl-5-methyl-N-piperidin-4-yl-3-propyl-1H-pyrrole-2-carboxamide
CID 119388518
4-acetyl-3-ethyl-5-methyl-N-pyridin-4-yl-1H-pyrrole-2-carboxamide
CID 47266692
1-[5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-4-ethyl-2-methyl-1H-pyrrol-3-yl]ethanone
CID 120659774
4-acetyl-3-ethyl-5-methyl-N-(1-methylpyrazol-4-yl)-1H-pyrrole-2-carboxamide
CID 47327832
4-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229808
4-acetyl-3-ethyl-N-[(2R)-2-(ethylamino)propyl]-5-methyl-1H-pyrrole-2-carboxamide;hydrochloride
CID 120654198
1-[4-ethyl-2-methyl-5-[4-(methylamino)piperidine-1-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 119561742
(2S)-2-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)amino]hexanoic acid
CID 120614754
4-acetyl-N-(1-cyanobutyl)-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
CID 56823337
4-acetyl-3-ethyl-5-methyl-N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide
CID 47278434

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(2-adamantyl)-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-(2-adamantyl)-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide (CID 112844893) is 4-acetyl-N-(2-adamantyl)-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-(2-adamantyl)-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-(2-adamantyl)-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide is CCc1c(C(=O)NC2C3CC4CC(C3)CC2C4)[nH]c(C)c1C(C)=O.
What is the InChIKey of 4-acetyl-N-(2-adamantyl)-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is BOHMKGGJGRQDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-4-16-17(11(3)23)10(2)21-19(16)20(24)22-18-14-6-12-5-13(8-14)9-15(18)7-12/h12-15,18,21H,4-9H2,1-3H3,(H,22,24).
What are the key properties of 4-acetyl-N-(2-adamantyl)-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide?
4-acetyl-N-(2-adamantyl)-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(2-adamantyl)-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 112844893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).