1-cyclohexyl-2,5-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrrole-3-carboxamide

C21H25N3O3 — CID 24559929

IUPAC1-cyclohexyl-2,5-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3c(c2)NC(=O)CO3)c(C)n1C1CCCCC1
InChIInChI=1S/C21H25N3O3/c1-13-10-17(14(2)24(13)16-6-4-3-5-7-16)21(26)22-15-8-9-19-18(11-15)23-20(25)12-27-19/h8-11,16H,3-7,12H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyQZLPQCIHURWIKJ-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.19
Rot. Bonds3

About 1-cyclohexyl-2,5-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrrole-3-carboxamide

1-cyclohexyl-2,5-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrrole-3-carboxamide (PubChem CID 24559929) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-cyclohexyl-2,5-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-2,5-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrrole-3-carboxamide
PubChem CID24559929
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name1-cyclohexyl-2,5-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3c(c2)NC(=O)CO3)c(C)n1C1CCCCC1
InChIInChI=1S/C21H25N3O3/c1-13-10-17(14(2)24(13)16-6-4-3-5-7-16)21(26)22-15-8-9-19-18(11-15)23-20(25)12-27-19/h8-11,16H,3-7,12H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyQZLPQCIHURWIKJ-UHFFFAOYSA-N
XLogP4.19
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-cyclohexyl-2,5-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrrole-3-carboxamide with MolForge

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Related Compounds

6-(1-cyclohexylethylamino)-4H-1,4-benzoxazin-3-one
CID 43767738
1-cyclohexyl-2,5-dimethyl-N-(1H-pyrazol-4-yl)pyrrole-3-carboxamide
CID 132968634
2,3,4,5-tetrafluoro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 32974831
1-cyclopropyl-2,5-dimethyl-N-(4-methylphenyl)pyrrole-3-carboxamide
CID 17471885
2-(2,5-dimethylpyrrol-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110205820
5-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide
CID 35528644
3-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)furan-2-carboxamide
CID 31020779
(2S)-4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)azetidine-2-carboxamide
CID 59802652
4-cyclohexyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 29357799
5-cyclopropyl-1-[(3R)-1,1-dioxothiolan-3-yl]-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide
CID 9125130
4-(3,5-dimethylpyrazol-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 35529721
methyl 2-oxo-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]acetate
CID 115142185

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2,5-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrrole-3-carboxamide?
The IUPAC name of 1-cyclohexyl-2,5-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrrole-3-carboxamide (CID 24559929) is 1-cyclohexyl-2,5-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrrole-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-2,5-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrrole-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-2,5-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrrole-3-carboxamide is Cc1cc(C(=O)Nc2ccc3c(c2)NC(=O)CO3)c(C)n1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2,5-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrrole-3-carboxamide?
The InChIKey is QZLPQCIHURWIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-13-10-17(14(2)24(13)16-6-4-3-5-7-16)21(26)22-15-8-9-19-18(11-15)23-20(25)12-27-19/h8-11,16H,3-7,12H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of 1-cyclohexyl-2,5-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrrole-3-carboxamide?
1-cyclohexyl-2,5-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrrole-3-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2,5-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrrole-3-carboxamide is sourced from PubChem (CID 24559929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).