[2-(cyclopropylamino)-2-oxoethyl] 2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxylate

C19H22N2O3 — CID 47003761

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxylate
SMILESCc1ccccc1-n1c(C)cc(C(=O)OCC(=O)NC2CC2)c1C
InChIInChI=1S/C19H22N2O3/c1-12-6-4-5-7-17(12)21-13(2)10-16(14(21)3)19(23)24-11-18(22)20-15-8-9-15/h4-7,10,15H,8-9,11H2,1-3H3,(H,20,22)
InChIKeyLEZSQHCMJKFPIJ-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.84
Rot. Bonds5

About [2-(cyclopropylamino)-2-oxoethyl] 2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxylate

[2-(cyclopropylamino)-2-oxoethyl] 2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxylate (PubChem CID 47003761) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxylate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxylate
PubChem CID47003761
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxylate
SMILESCc1ccccc1-n1c(C)cc(C(=O)OCC(=O)NC2CC2)c1C
InChIInChI=1S/C19H22N2O3/c1-12-6-4-5-7-17(12)21-13(2)10-16(14(21)3)19(23)24-11-18(22)20-15-8-9-15/h4-7,10,15H,8-9,11H2,1-3H3,(H,20,22)
InChIKeyLEZSQHCMJKFPIJ-UHFFFAOYSA-N
XLogP2.84
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.84
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

methyl 2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxylate
CID 94788727
[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 2997768
2,5-dimethyl-1-(2-methylphenyl)-N-piperidin-4-ylpyrrole-3-carboxamide;hydrochloride
CID 119390059
2,5-dimethyl-1-(2-methylphenyl)-N-pyrrolidin-3-ylpyrrole-3-carboxamide;hydrochloride
CID 119453913
cis-(1R,3S)-3-[[2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678201
[2-(cyclopropylamino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate
CID 2568997
[2-(cyclopropylmethylamino)-2-oxoethyl] 2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxylate
CID 71896912
[2-(cyclopropylamino)-2-oxoethyl] 2-ethylsulfanylbenzoate
CID 8658293
[2-(cyclopropylamino)-2-oxoethyl] 2-methoxybenzoate
CID 2715031
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 1-ethyl-2,5-dimethylpyrrole-3-carboxylate
CID 8913060
[2-(cyclopentylamino)-2-oxoethyl] 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate
CID 8508652
[2-(cyclopropylamino)-2-oxoethyl] 2-amino-6-methylbenzoate
CID 61321740

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxylate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxylate (CID 47003761) is [2-(cyclopropylamino)-2-oxoethyl] 2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxylate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxylate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxylate is Cc1ccccc1-n1c(C)cc(C(=O)OCC(=O)NC2CC2)c1C.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxylate?
The InChIKey is LEZSQHCMJKFPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-12-6-4-5-7-17(12)21-13(2)10-16(14(21)3)19(23)24-11-18(22)20-15-8-9-15/h4-7,10,15H,8-9,11H2,1-3H3,(H,20,22).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxylate?
[2-(cyclopropylamino)-2-oxoethyl] 2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxylate has a molecular weight of 326.40 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxylate is sourced from PubChem (CID 47003761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).