4-(5-formamido-4-formyl-2-methoxyphenoxy)-N-(5-formyl-1-methylpyrrol-3-yl)butanamide

C19H21N3O6 — CID 178056548

IUPAC4-(5-formamido-4-formyl-2-methoxyphenoxy)-N-(5-formyl-1-methylpyrrol-3-yl)butanamide
SMILESCOc1cc(C=O)c(NC=O)cc1OCCCC(=O)Nc1cc(C=O)n(C)c1
InChIInChI=1S/C19H21N3O6/c1-22-9-14(7-15(22)11-24)21-19(26)4-3-5-28-18-8-16(20-12-25)13(10-23)6-17(18)27-2/h6-12H,3-5H2,1-2H3,(H,20,25)(H,21,26)
InChIKeyPCSOZGKEAYPIEB-UHFFFAOYSA-N
MW387.39 g/mol
LogP2.02
Rot. Bonds11

About 4-(5-formamido-4-formyl-2-methoxyphenoxy)-N-(5-formyl-1-methylpyrrol-3-yl)butanamide

4-(5-formamido-4-formyl-2-methoxyphenoxy)-N-(5-formyl-1-methylpyrrol-3-yl)butanamide (PubChem CID 178056548) has the molecular formula C19H21N3O6 and a molecular weight of 387.39 g/mol. Its IUPAC name is 4-(5-formamido-4-formyl-2-methoxyphenoxy)-N-(5-formyl-1-methylpyrrol-3-yl)butanamide.

Molecular Properties

Compound Name4-(5-formamido-4-formyl-2-methoxyphenoxy)-N-(5-formyl-1-methylpyrrol-3-yl)butanamide
PubChem CID178056548
Molecular FormulaC19H21N3O6
Molecular Weight387.39 g/mol
Exact Mass387.14
IUPAC Name4-(5-formamido-4-formyl-2-methoxyphenoxy)-N-(5-formyl-1-methylpyrrol-3-yl)butanamide
SMILESCOc1cc(C=O)c(NC=O)cc1OCCCC(=O)Nc1cc(C=O)n(C)c1
InChIInChI=1S/C19H21N3O6/c1-22-9-14(7-15(22)11-24)21-19(26)4-3-5-28-18-8-16(20-12-25)13(10-23)6-17(18)27-2/h6-12H,3-5H2,1-2H3,(H,20,25)(H,21,26)
InChIKeyPCSOZGKEAYPIEB-UHFFFAOYSA-N
XLogP2.02
TPSA115.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(5-formamido-4-formyl-2-methoxyphenoxy)-N-(5-formyl-1-methylpyrrol-3-yl)butanamide 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

N-(1,5-dimethylpyrrol-3-yl)-4-[4-formyl-2-methoxy-5-[(1-methyl-4-methylidenepyrrolidin-2-yl)methylideneamino]phenoxy]butanamide;N-[4-(5-formyl-1-methylpyrrol-3-yl)phenyl]formamide
CID 145424983
ethane;methyl 4-(4-formyl-2-methoxy-5-nitrophenoxy)butanoate
CID 145325683
4-(2-formyl-4-methoxyphenoxy)-N-methylbutanamide
CID 63890145
2,5-dimethoxy-4-propoxybenzaldehyde
CID 614240
5-methoxy-2-nitro-4-(3-oxobutoxy)benzaldehyde
CID 62033630
2-amino-4-[4-[[5-[[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]amino]-4-oxobutoxy]-5-methoxybenzoic acid
CID 122551352
4-[4-[[4-[4-[4-formyl-2-methoxy-5-[(1-methylpyrrolidin-2-yl)methylideneamino]phenoxy]butanoylamino]-1-methylpyrrole-2-carbonyl]amino]phenyl]-1-methyl-N-[2-(methylamino)ethyl]pyrrole-2-carboxamide
CID 145279784
methyl 4-(2-formyl-4-methylphenoxy)butanoate
CID 63324744
N-(3-acetylphenyl)-4-(2-methoxyphenoxy)butanamide
CID 19181020
N-[2-(diethylcarbamoyl)-1-benzofuran-5-yl]-4-[4-[4-formyl-2-methoxy-5-[(1-methylpyrrolidin-2-yl)methylideneamino]phenoxy]butanoylamino]-1-methylpyrrole-2-carboxamide
CID 129237096
4-(2,4-dichlorophenoxy)-N-(3,4-dimethoxyphenyl)butanamide
CID 2282471
4-(2-bromo-4-methylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide
CID 19201751

Frequently Asked Questions

What is the IUPAC name of 4-(5-formamido-4-formyl-2-methoxyphenoxy)-N-(5-formyl-1-methylpyrrol-3-yl)butanamide?
The IUPAC name of 4-(5-formamido-4-formyl-2-methoxyphenoxy)-N-(5-formyl-1-methylpyrrol-3-yl)butanamide (CID 178056548) is 4-(5-formamido-4-formyl-2-methoxyphenoxy)-N-(5-formyl-1-methylpyrrol-3-yl)butanamide.
What is the SMILES notation for 4-(5-formamido-4-formyl-2-methoxyphenoxy)-N-(5-formyl-1-methylpyrrol-3-yl)butanamide?
The canonical SMILES for 4-(5-formamido-4-formyl-2-methoxyphenoxy)-N-(5-formyl-1-methylpyrrol-3-yl)butanamide is COc1cc(C=O)c(NC=O)cc1OCCCC(=O)Nc1cc(C=O)n(C)c1.
What is the InChIKey of 4-(5-formamido-4-formyl-2-methoxyphenoxy)-N-(5-formyl-1-methylpyrrol-3-yl)butanamide?
The InChIKey is PCSOZGKEAYPIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O6/c1-22-9-14(7-15(22)11-24)21-19(26)4-3-5-28-18-8-16(20-12-25)13(10-23)6-17(18)27-2/h6-12H,3-5H2,1-2H3,(H,20,25)(H,21,26).
What are the key properties of 4-(5-formamido-4-formyl-2-methoxyphenoxy)-N-(5-formyl-1-methylpyrrol-3-yl)butanamide?
4-(5-formamido-4-formyl-2-methoxyphenoxy)-N-(5-formyl-1-methylpyrrol-3-yl)butanamide has a molecular weight of 387.39 g/mol, XLogP of 2.02, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-formamido-4-formyl-2-methoxyphenoxy)-N-(5-formyl-1-methylpyrrol-3-yl)butanamide is sourced from PubChem (CID 178056548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).