methyl 2-[(2,5-dimethylpyrrol-1-yl)-(4-methylbenzoyl)amino]acetate

C17H20N2O3 — CID 43822437

IUPACmethyl 2-[(2,5-dimethylpyrrol-1-yl)-(4-methylbenzoyl)amino]acetate
SMILESCOC(=O)CN(C(=O)c1ccc(C)cc1)n1c(C)ccc1C
InChIInChI=1S/C17H20N2O3/c1-12-5-9-15(10-6-12)17(21)18(11-16(20)22-4)19-13(2)7-8-14(19)3/h5-10H,11H2,1-4H3
InChIKeyBKHCXYHVZHBTLF-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.36
Rot. Bonds4

About methyl 2-[(2,5-dimethylpyrrol-1-yl)-(4-methylbenzoyl)amino]acetate

methyl 2-[(2,5-dimethylpyrrol-1-yl)-(4-methylbenzoyl)amino]acetate (PubChem CID 43822437) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is methyl 2-[(2,5-dimethylpyrrol-1-yl)-(4-methylbenzoyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2,5-dimethylpyrrol-1-yl)-(4-methylbenzoyl)amino]acetate
PubChem CID43822437
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Namemethyl 2-[(2,5-dimethylpyrrol-1-yl)-(4-methylbenzoyl)amino]acetate
SMILESCOC(=O)CN(C(=O)c1ccc(C)cc1)n1c(C)ccc1C
InChIInChI=1S/C17H20N2O3/c1-12-5-9-15(10-6-12)17(21)18(11-16(20)22-4)19-13(2)7-8-14(19)3/h5-10H,11H2,1-4H3
InChIKeyBKHCXYHVZHBTLF-UHFFFAOYSA-N
XLogP2.36
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[benzoyl-[2,5-dimethyl-3-[(Z)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]amino]acetate
CID 8990419
N-methoxy-4-methyl-N-(4-methylbenzoyl)benzamide
CID 134120196
methyl 2-[(4-aminobenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952978
methyl 2-[(4-iodobenzoyl)-methylamino]acetate
CID 43407349
2-[2-methoxyethyl-(4-methylbenzoyl)amino]acetic acid
CID 54969089
methyl 2-[[4-[(dimethylamino)methyl]benzoyl]-methylamino]acetate
CID 43409765
methyl 4-methylbenzoate
CID 91113291
methyl 4-methylbenzoate
CID 7455
methyl 2-[(2,4-dimethylbenzoyl)-ethylamino]acetate
CID 54979100
methyl 2-[(2-chloro-4-methylbenzoyl)-methylamino]acetate
CID 106509702
methyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-ethylamino]acetate
CID 54979060
methyl 2-[[(Z)-3-(4-methylphenyl)-3-oxoprop-1-enyl]amino]acetate
CID 18531919

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,5-dimethylpyrrol-1-yl)-(4-methylbenzoyl)amino]acetate?
The IUPAC name of methyl 2-[(2,5-dimethylpyrrol-1-yl)-(4-methylbenzoyl)amino]acetate (CID 43822437) is methyl 2-[(2,5-dimethylpyrrol-1-yl)-(4-methylbenzoyl)amino]acetate.
What is the SMILES notation for methyl 2-[(2,5-dimethylpyrrol-1-yl)-(4-methylbenzoyl)amino]acetate?
The canonical SMILES for methyl 2-[(2,5-dimethylpyrrol-1-yl)-(4-methylbenzoyl)amino]acetate is COC(=O)CN(C(=O)c1ccc(C)cc1)n1c(C)ccc1C.
What is the InChIKey of methyl 2-[(2,5-dimethylpyrrol-1-yl)-(4-methylbenzoyl)amino]acetate?
The InChIKey is BKHCXYHVZHBTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-12-5-9-15(10-6-12)17(21)18(11-16(20)22-4)19-13(2)7-8-14(19)3/h5-10H,11H2,1-4H3.
What are the key properties of methyl 2-[(2,5-dimethylpyrrol-1-yl)-(4-methylbenzoyl)amino]acetate?
methyl 2-[(2,5-dimethylpyrrol-1-yl)-(4-methylbenzoyl)amino]acetate has a molecular weight of 300.36 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,5-dimethylpyrrol-1-yl)-(4-methylbenzoyl)amino]acetate is sourced from PubChem (CID 43822437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).