4-(2,5-dimethylpyrrol-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide

C18H23N3O2 — CID 41337865

IUPAC4-(2,5-dimethylpyrrol-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
SMILESCc1ccc(C)n1-c1ccc(C(=O)NCC(=O)NC(C)C)cc1
InChIInChI=1S/C18H23N3O2/c1-12(2)20-17(22)11-19-18(23)15-7-9-16(10-8-15)21-13(3)5-6-14(21)4/h5-10,12H,11H2,1-4H3,(H,19,23)(H,20,22)
InChIKeyXDBSSUNZVGISGB-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.35
Rot. Bonds5

About 4-(2,5-dimethylpyrrol-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide

4-(2,5-dimethylpyrrol-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide (PubChem CID 41337865) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-(2,5-dimethylpyrrol-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-(2,5-dimethylpyrrol-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
PubChem CID41337865
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name4-(2,5-dimethylpyrrol-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
SMILESCc1ccc(C)n1-c1ccc(C(=O)NCC(=O)NC(C)C)cc1
InChIInChI=1S/C18H23N3O2/c1-12(2)20-17(22)11-19-18(23)15-7-9-16(10-8-15)21-13(3)5-6-14(21)4/h5-10,12H,11H2,1-4H3,(H,19,23)(H,20,22)
InChIKeyXDBSSUNZVGISGB-UHFFFAOYSA-N
XLogP2.35
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

4-(2,5-dimethylpyrrol-1-yl)-N-propan-2-ylbenzamide
CID 41360035
4-tert-butyl-N-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]benzamide
CID 27743223
4-(2,5-dimethylpyrrol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 2576736
4-(2,5-dimethylpyrrol-1-yl)-N-(2-methoxyethyl)benzamide
CID 30281157
4-methyl-N-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]benzamide
CID 60965904
4-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9299693
4-(methylsulfonylmethyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9301361
(2S)-3-methyl-2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]butanoic acid
CID 54494581
3-[[2-[(4-methylbenzoyl)amino]acetyl]amino]butanoic acid
CID 43360766
N-[2-oxo-2-(propan-2-ylamino)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9300971
3-amino-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 43567615
2-[(2,5-dimethylpyrrol-1-yl)amino]-N-propan-2-ylacetamide
CID 79100317

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylpyrrol-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The IUPAC name of 4-(2,5-dimethylpyrrol-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide (CID 41337865) is 4-(2,5-dimethylpyrrol-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 4-(2,5-dimethylpyrrol-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The canonical SMILES for 4-(2,5-dimethylpyrrol-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide is Cc1ccc(C)n1-c1ccc(C(=O)NCC(=O)NC(C)C)cc1.
What is the InChIKey of 4-(2,5-dimethylpyrrol-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The InChIKey is XDBSSUNZVGISGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-12(2)20-17(22)11-19-18(23)15-7-9-16(10-8-15)21-13(3)5-6-14(21)4/h5-10,12H,11H2,1-4H3,(H,19,23)(H,20,22).
What are the key properties of 4-(2,5-dimethylpyrrol-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
4-(2,5-dimethylpyrrol-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide has a molecular weight of 313.40 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylpyrrol-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 41337865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).