2,5-dimethyl-1-(2-methylphenyl)-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]pyrrole-3-carboxamide

C21H27N3O3 — CID 95040746

IUPAC2,5-dimethyl-1-(2-methylphenyl)-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]pyrrole-3-carboxamide
SMILESCc1ccccc1-n1c(C)cc(C(=O)N[C@H](C)C(=O)N2CCOCC2)c1C
InChIInChI=1S/C21H27N3O3/c1-14-7-5-6-8-19(14)24-15(2)13-18(17(24)4)20(25)22-16(3)21(26)23-9-11-27-12-10-23/h5-8,13,16H,9-12H2,1-4H3,(H,22,25)/t16-/m1/s1
InChIKeyIKXNIKXJCNCBKP-MRXNPFEDSA-N
MW369.47 g/mol
LogP2.38
Rot. Bonds4

About 2,5-dimethyl-1-(2-methylphenyl)-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]pyrrole-3-carboxamide

2,5-dimethyl-1-(2-methylphenyl)-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]pyrrole-3-carboxamide (PubChem CID 95040746) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2,5-dimethyl-1-(2-methylphenyl)-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-1-(2-methylphenyl)-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]pyrrole-3-carboxamide
PubChem CID95040746
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name2,5-dimethyl-1-(2-methylphenyl)-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]pyrrole-3-carboxamide
SMILESCc1ccccc1-n1c(C)cc(C(=O)N[C@H](C)C(=O)N2CCOCC2)c1C
InChIInChI=1S/C21H27N3O3/c1-14-7-5-6-8-19(14)24-15(2)13-18(17(24)4)20(25)22-16(3)21(26)23-9-11-27-12-10-23/h5-8,13,16H,9-12H2,1-4H3,(H,22,25)/t16-/m1/s1
InChIKeyIKXNIKXJCNCBKP-MRXNPFEDSA-N
XLogP2.38
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide
CID 56581097
3-[[2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbonyl]amino]butanoic acid
CID 119347913
2-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]quinoline-4-carboxamide
CID 94799939
2,3-difluoro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide
CID 115605200
N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxochromene-3-carboxamide
CID 94813486
3-fluoro-4-methyl-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 94817707
2-methyl-N-[(2R)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]benzamide
CID 2712218
N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzo[f]quinoline-5-carboxamide
CID 95018401
2,5-dimethyl-1-[2-(propan-2-ylcarbamoyl)phenyl]pyrrole-3-carboxylic acid
CID 69124005
methyl 2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxylate
CID 94788727
2-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzamide
CID 110286907
N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 51097695

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(2-methylphenyl)-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]pyrrole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-1-(2-methylphenyl)-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]pyrrole-3-carboxamide (CID 95040746) is 2,5-dimethyl-1-(2-methylphenyl)-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]pyrrole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-1-(2-methylphenyl)-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]pyrrole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-1-(2-methylphenyl)-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]pyrrole-3-carboxamide is Cc1ccccc1-n1c(C)cc(C(=O)N[C@H](C)C(=O)N2CCOCC2)c1C.
What is the InChIKey of 2,5-dimethyl-1-(2-methylphenyl)-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]pyrrole-3-carboxamide?
The InChIKey is IKXNIKXJCNCBKP-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-14-7-5-6-8-19(14)24-15(2)13-18(17(24)4)20(25)22-16(3)21(26)23-9-11-27-12-10-23/h5-8,13,16H,9-12H2,1-4H3,(H,22,25)/t16-/m1/s1.
What are the key properties of 2,5-dimethyl-1-(2-methylphenyl)-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]pyrrole-3-carboxamide?
2,5-dimethyl-1-(2-methylphenyl)-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]pyrrole-3-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(2-methylphenyl)-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]pyrrole-3-carboxamide is sourced from PubChem (CID 95040746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).