methyl 4-[2-[(3-methoxybenzoyl)-(2-morpholin-4-ylethyl)amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

C24H31N3O6 — CID 42671048

IUPACmethyl 4-[2-[(3-methoxybenzoyl)-(2-morpholin-4-ylethyl)amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1[nH]c(C)c(C(=O)CN(CCN2CCOCC2)C(=O)c2cccc(OC)c2)c1C
InChIInChI=1S/C24H31N3O6/c1-16-21(17(2)25-22(16)24(30)32-4)20(28)15-27(9-8-26-10-12-33-13-11-26)23(29)18-6-5-7-19(14-18)31-3/h5-7,14,25H,8-13,15H2,1-4H3
InChIKeyHFHJZYUTWUPFLH-UHFFFAOYSA-N
MW457.53 g/mol
LogP2.08
Rot. Bonds9

About methyl 4-[2-[(3-methoxybenzoyl)-(2-morpholin-4-ylethyl)amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

methyl 4-[2-[(3-methoxybenzoyl)-(2-morpholin-4-ylethyl)amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate (PubChem CID 42671048) has the molecular formula C24H31N3O6 and a molecular weight of 457.53 g/mol. Its IUPAC name is methyl 4-[2-[(3-methoxybenzoyl)-(2-morpholin-4-ylethyl)amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-[(3-methoxybenzoyl)-(2-morpholin-4-ylethyl)amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
PubChem CID42671048
Molecular FormulaC24H31N3O6
Molecular Weight457.53 g/mol
Exact Mass457.22
IUPAC Namemethyl 4-[2-[(3-methoxybenzoyl)-(2-morpholin-4-ylethyl)amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1[nH]c(C)c(C(=O)CN(CCN2CCOCC2)C(=O)c2cccc(OC)c2)c1C
InChIInChI=1S/C24H31N3O6/c1-16-21(17(2)25-22(16)24(30)32-4)20(28)15-27(9-8-26-10-12-33-13-11-26)23(29)18-6-5-7-19(14-18)31-3/h5-7,14,25H,8-13,15H2,1-4H3
InChIKeyHFHJZYUTWUPFLH-UHFFFAOYSA-N
XLogP2.08
TPSA101.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-[2-[(3-methoxybenzoyl)-(2-morpholin-4-ylethyl)amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate with MolForge

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Related Compounds

ethyl 4-[2-[(4-methoxybenzoyl)-(2-morpholin-4-ylethyl)amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 42672983
ethyl 4-[2-[1,3-benzodioxole-5-carbonyl(2-morpholin-4-ylethyl)amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 42822148
methyl 4-[2-[benzoyl(ethyl)amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 42672863
3-methoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 10000728
methyl 1-ethyl-4-[2-[(4-methoxybenzoyl)-(2-morpholin-4-ylethyl)amino]acetyl]-3,5-dimethylpyrrole-2-carboxylate
CID 42800357
methyl 4-[2-[(4-methoxybenzoyl)-(3-methoxypropyl)amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 42672885
methyl 4-[2-[ethyl-(4-methylbenzoyl)amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 42672864
ethyl 4-[2-[benzoyl(2-morpholin-4-ylethyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42822107
3-methoxy-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)benzamide
CID 42701708
methyl 4-[2-[(3-methoxybenzoyl)-[[(2S)-oxolan-2-yl]methyl]amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 93143668
3-methoxy-N-[[1-[(4-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42819998
3-(3-methoxyphenyl)-N-methyl-N-(2-morpholin-4-ylethyl)but-2-enamide
CID 71975368

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[(3-methoxybenzoyl)-(2-morpholin-4-ylethyl)amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 4-[2-[(3-methoxybenzoyl)-(2-morpholin-4-ylethyl)amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate (CID 42671048) is methyl 4-[2-[(3-methoxybenzoyl)-(2-morpholin-4-ylethyl)amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[2-[(3-methoxybenzoyl)-(2-morpholin-4-ylethyl)amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[2-[(3-methoxybenzoyl)-(2-morpholin-4-ylethyl)amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate is COC(=O)c1[nH]c(C)c(C(=O)CN(CCN2CCOCC2)C(=O)c2cccc(OC)c2)c1C.
What is the InChIKey of methyl 4-[2-[(3-methoxybenzoyl)-(2-morpholin-4-ylethyl)amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The InChIKey is HFHJZYUTWUPFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O6/c1-16-21(17(2)25-22(16)24(30)32-4)20(28)15-27(9-8-26-10-12-33-13-11-26)23(29)18-6-5-7-19(14-18)31-3/h5-7,14,25H,8-13,15H2,1-4H3.
What are the key properties of methyl 4-[2-[(3-methoxybenzoyl)-(2-morpholin-4-ylethyl)amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate?
methyl 4-[2-[(3-methoxybenzoyl)-(2-morpholin-4-ylethyl)amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate has a molecular weight of 457.53 g/mol, XLogP of 2.08, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[(3-methoxybenzoyl)-(2-morpholin-4-ylethyl)amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 42671048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).