methyl 5-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

C19H23N3O6 — CID 55736038

IUPACmethyl 5-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(OCC(N)=O)c(OC)c2)c1C
InChIInChI=1S/C19H23N3O6/c1-10-16(19(25)27-4)11(2)22-17(10)18(24)21-8-12-5-6-13(14(7-12)26-3)28-9-15(20)23/h5-7,22H,8-9H2,1-4H3,(H2,20,23)(H,21,24)
InChIKeyCUWJFIPDGHESFN-UHFFFAOYSA-N
MW389.41 g/mol
LogP1.22
Rot. Bonds8

About methyl 5-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

methyl 5-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate (PubChem CID 55736038) has the molecular formula C19H23N3O6 and a molecular weight of 389.41 g/mol. Its IUPAC name is methyl 5-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
PubChem CID55736038
Molecular FormulaC19H23N3O6
Molecular Weight389.41 g/mol
Exact Mass389.16
IUPAC Namemethyl 5-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(OCC(N)=O)c(OC)c2)c1C
InChIInChI=1S/C19H23N3O6/c1-10-16(19(25)27-4)11(2)22-17(10)18(24)21-8-12-5-6-13(14(7-12)26-3)28-9-15(20)23/h5-7,22H,8-9H2,1-4H3,(H2,20,23)(H,21,24)
InChIKeyCUWJFIPDGHESFN-UHFFFAOYSA-N
XLogP1.22
TPSA132.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze methyl 5-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate with MolForge

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Related Compounds

methyl 5-[(3,4-dimethoxyphenyl)methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 27647414
4-(2-amino-2-oxoethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide
CID 9082611
methyl 5-[(3,4-dimethoxyphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 25392367
2-[4-[[(3,5-dimethylphenyl)methylamino]methyl]-2-methoxyphenoxy]acetamide
CID 56820860
2-[4-[(iodoamino)methyl]-2-methoxyphenoxy]acetamide
CID 129301598
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]pyrazine-2-carboxamide
CID 56809138
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56567119
2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride
CID 17290875
2-[2-methoxy-4-[(prop-2-ynylamino)methyl]phenoxy]acetamide
CID 94074154
3-amino-N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]butanamide
CID 119734347
2-[2-methoxy-4-[(3-methoxypropylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17209258
methyl 2,4-dimethyl-5-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylcarbamoyl]-1H-pyrrole-3-carboxylate
CID 17409445

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 5-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate (CID 55736038) is methyl 5-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 5-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 5-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is COC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(OCC(N)=O)c(OC)c2)c1C.
What is the InChIKey of methyl 5-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The InChIKey is CUWJFIPDGHESFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O6/c1-10-16(19(25)27-4)11(2)22-17(10)18(24)21-8-12-5-6-13(14(7-12)26-3)28-9-15(20)23/h5-7,22H,8-9H2,1-4H3,(H2,20,23)(H,21,24).
What are the key properties of methyl 5-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
methyl 5-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate has a molecular weight of 389.41 g/mol, XLogP of 1.22, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 55736038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).