methyl 5-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

C20H25N3O6 — CID 31724561

IUPACmethyl 5-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2ccc(OC(C)C)c(OC)c2)c1C
InChIInChI=1S/C20H25N3O6/c1-10(2)29-14-8-7-13(9-15(14)27-5)18(24)22-23-19(25)17-11(3)16(12(4)21-17)20(26)28-6/h7-10,21H,1-6H3,(H,22,24)(H,23,25)
InChIKeyRYQSNQMVJKRLHA-UHFFFAOYSA-N
MW403.44 g/mol
LogP2.29
Rot. Bonds6

About methyl 5-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

methyl 5-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate (PubChem CID 31724561) has the molecular formula C20H25N3O6 and a molecular weight of 403.44 g/mol. Its IUPAC name is methyl 5-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
PubChem CID31724561
Molecular FormulaC20H25N3O6
Molecular Weight403.44 g/mol
Exact Mass403.17
IUPAC Namemethyl 5-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2ccc(OC(C)C)c(OC)c2)c1C
InChIInChI=1S/C20H25N3O6/c1-10(2)29-14-8-7-13(9-15(14)27-5)18(24)22-23-19(25)17-11(3)16(12(4)21-17)20(26)28-6/h7-10,21H,1-6H3,(H,22,24)(H,23,25)
InChIKeyRYQSNQMVJKRLHA-UHFFFAOYSA-N
XLogP2.29
TPSA118.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl 5-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 5-[(E)-N-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-C-methylcarbonimidoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 135582607
N'-acetyl-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 46656614
methyl 5-[(3,4-dimethoxyphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 25392367
methyl 5-[2-(3,4-dimethoxybenzoyl)oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 16525008
3-methoxy-N'-(3-methylbenzoyl)-4-propan-2-yloxybenzohydrazide
CID 26655769
3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propan-2-yloxybenzohydrazide
CID 8621899
N'-[4-(difluoromethoxy)benzoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 26655758
2,3,4-trimethoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide
CID 7972045
methyl 5-[(3-chloro-4-methoxyphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 25393428
methyl 5-[(3,4-dimethoxyphenyl)methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 27647414
N'-(3-methoxy-4-propan-2-yloxybenzoyl)-5-methylpyrazine-2-carbohydrazide
CID 18266699
N'-(2,2-diphenylacetyl)-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 7972036

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 5-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate (CID 31724561) is methyl 5-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 5-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 5-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is COC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2ccc(OC(C)C)c(OC)c2)c1C.
What is the InChIKey of methyl 5-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The InChIKey is RYQSNQMVJKRLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O6/c1-10(2)29-14-8-7-13(9-15(14)27-5)18(24)22-23-19(25)17-11(3)16(12(4)21-17)20(26)28-6/h7-10,21H,1-6H3,(H,22,24)(H,23,25).
What are the key properties of methyl 5-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
methyl 5-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate has a molecular weight of 403.44 g/mol, XLogP of 2.29, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 31724561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).