ethyl (NZ)-N-[amino-[4-[[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]methyl]phenyl]methylidene]carbamate

C25H28N4O4 — CID 53258910

IUPACethyl (NZ)-N-[amino-[4-[[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]methyl]phenyl]methylidene]carbamate
SMILESCCOC(=O)/N=C(\N)c1ccc(CNC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1
InChIInChI=1S/C25H28N4O4/c1-5-33-25(31)28-23(26)19-8-6-18(7-9-19)15-27-24(30)22-14-16(2)29(17(22)3)20-10-12-21(32-4)13-11-20/h6-14H,5,15H2,1-4H3,(H,27,30)(H2,26,28,31)
InChIKeyGPYJALZWLGHEQG-UHFFFAOYSA-N
MW448.52 g/mol
LogP3.89
Rot. Bonds7

About ethyl (NZ)-N-[amino-[4-[[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]methyl]phenyl]methylidene]carbamate

ethyl (NZ)-N-[amino-[4-[[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]methyl]phenyl]methylidene]carbamate (PubChem CID 53258910) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is ethyl (NZ)-N-[amino-[4-[[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]methyl]phenyl]methylidene]carbamate.

Molecular Properties

Compound Nameethyl (NZ)-N-[amino-[4-[[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]methyl]phenyl]methylidene]carbamate
PubChem CID53258910
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC Nameethyl (NZ)-N-[amino-[4-[[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]methyl]phenyl]methylidene]carbamate
SMILESCCOC(=O)/N=C(\N)c1ccc(CNC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1
InChIInChI=1S/C25H28N4O4/c1-5-33-25(31)28-23(26)19-8-6-18(7-9-19)15-27-24(30)22-14-16(2)29(17(22)3)20-10-12-21(32-4)13-11-20/h6-14H,5,15H2,1-4H3,(H,27,30)(H2,26,28,31)
InChIKeyGPYJALZWLGHEQG-UHFFFAOYSA-N
XLogP3.89
TPSA107.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze ethyl (NZ)-N-[amino-[4-[[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]methyl]phenyl]methylidene]carbamate 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

benzyl N-[amino-[4-[[[1-(4-chlorophenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]methyl]phenyl]methylidene]carbamate
CID 75994496
1-(4-methoxyphenyl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrrole-3-carboxamide
CID 55961916
2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]acetic acid
CID 119171465
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2,5-dimethyl-1-(4-propan-2-ylphenyl)pyrrole-3-carboxamide
CID 55814653
1-(4-methoxyphenyl)-2,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrrole-3-carboxamide
CID 24617865
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxylate
CID 8820715
1-(4-methoxyphenyl)-2,5-dimethyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]pyrrole-3-carboxamide
CID 166191414
N-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 86928811
N-[4-(diethylcarbamoyl)phenyl]-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 24560612
ethyl (NZ)-N-[amino-[4-[[[(2R)-2-(2-fluoro-4-methoxyphenyl)-2-methoxyacetyl]amino]methyl]phenyl]methylidene]carbamate
CID 10024969
N-benzyl-5-(4-methoxyphenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide
CID 7307045
1-(3-methoxyphenyl)-2,5-dimethyl-N-[(4-nitrophenyl)methyl]pyrrole-3-carboxamide
CID 55982368

Frequently Asked Questions

What is the IUPAC name of ethyl (NZ)-N-[amino-[4-[[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]methyl]phenyl]methylidene]carbamate?
The IUPAC name of ethyl (NZ)-N-[amino-[4-[[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]methyl]phenyl]methylidene]carbamate (CID 53258910) is ethyl (NZ)-N-[amino-[4-[[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]methyl]phenyl]methylidene]carbamate.
What is the SMILES notation for ethyl (NZ)-N-[amino-[4-[[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]methyl]phenyl]methylidene]carbamate?
The canonical SMILES for ethyl (NZ)-N-[amino-[4-[[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]methyl]phenyl]methylidene]carbamate is CCOC(=O)/N=C(\N)c1ccc(CNC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1.
What is the InChIKey of ethyl (NZ)-N-[amino-[4-[[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]methyl]phenyl]methylidene]carbamate?
The InChIKey is GPYJALZWLGHEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-5-33-25(31)28-23(26)19-8-6-18(7-9-19)15-27-24(30)22-14-16(2)29(17(22)3)20-10-12-21(32-4)13-11-20/h6-14H,5,15H2,1-4H3,(H,27,30)(H2,26,28,31).
What are the key properties of ethyl (NZ)-N-[amino-[4-[[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]methyl]phenyl]methylidene]carbamate?
ethyl (NZ)-N-[amino-[4-[[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]methyl]phenyl]methylidene]carbamate has a molecular weight of 448.52 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (NZ)-N-[amino-[4-[[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]methyl]phenyl]methylidene]carbamate is sourced from PubChem (CID 53258910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).