methyl 2-[4-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)amino]phenoxy]acetate

C22H28N2O4 — CID 55962259

IUPACmethyl 2-[4-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)amino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)c2cc(C)n(C3CCCCC3)c2C)cc1
InChIInChI=1S/C22H28N2O4/c1-15-13-20(16(2)24(15)18-7-5-4-6-8-18)22(26)23-17-9-11-19(12-10-17)28-14-21(25)27-3/h9-13,18H,4-8,14H2,1-3H3,(H,23,26)
InChIKeyWKVFHJIEJKZEAF-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.41
Rot. Bonds6

About methyl 2-[4-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)amino]phenoxy]acetate

methyl 2-[4-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)amino]phenoxy]acetate (PubChem CID 55962259) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is methyl 2-[4-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)amino]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)amino]phenoxy]acetate
PubChem CID55962259
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Namemethyl 2-[4-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)amino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)c2cc(C)n(C3CCCCC3)c2C)cc1
InChIInChI=1S/C22H28N2O4/c1-15-13-20(16(2)24(15)18-7-5-4-6-8-18)22(26)23-17-9-11-19(12-10-17)28-14-21(25)27-3/h9-13,18H,4-8,14H2,1-3H3,(H,23,26)
InChIKeyWKVFHJIEJKZEAF-UHFFFAOYSA-N
XLogP4.41
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[4-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)amino]phenoxy]acetate with MolForge

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Related Compounds

1-cyclopropyl-2,5-dimethyl-N-(4-methylphenyl)pyrrole-3-carboxamide
CID 17471885
1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2-phenoxyethanone
CID 110656364
N-(2-amino-5-methoxyphenyl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide
CID 119420979
1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2-(4-methoxyanilino)ethanone
CID 110655150
1-cyclohexyl-2,5-dimethyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrrole-3-carboxamide
CID 55970820
1-cyclohexyl-2,5-dimethyl-N-(1H-pyrazol-4-yl)pyrrole-3-carboxamide
CID 132968634
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
CID 120566438
methyl 2-[4-(cyclooctylamino)phenoxy]acetate
CID 43676794
methyl 2-[4-[[2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanylbenzoyl]amino]phenoxy]acetate
CID 55725815
[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate
CID 9062676
1-cyclohexyl-2,5-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrrole-3-carboxamide
CID 24559929
diethyl 5-[(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)amino]benzene-1,3-dicarboxylate
CID 39964628

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)amino]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)amino]phenoxy]acetate (CID 55962259) is methyl 2-[4-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)amino]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)amino]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)amino]phenoxy]acetate is COC(=O)COc1ccc(NC(=O)c2cc(C)n(C3CCCCC3)c2C)cc1.
What is the InChIKey of methyl 2-[4-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)amino]phenoxy]acetate?
The InChIKey is WKVFHJIEJKZEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-15-13-20(16(2)24(15)18-7-5-4-6-8-18)22(26)23-17-9-11-19(12-10-17)28-14-21(25)27-3/h9-13,18H,4-8,14H2,1-3H3,(H,23,26).
What are the key properties of methyl 2-[4-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)amino]phenoxy]acetate?
methyl 2-[4-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)amino]phenoxy]acetate has a molecular weight of 384.48 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)amino]phenoxy]acetate is sourced from PubChem (CID 55962259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).