methyl 3-[N-[3-[(2-amino-2-oxoethyl)-methylcarbamoyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxylate

C27H24N4O5 — CID 90715130

IUPACmethyl 3-[N-[3-[(2-amino-2-oxoethyl)-methylcarbamoyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)NC(=O)C2/C(=N/c1cccc(C(=O)N(C)CC(N)=O)c1)c1ccccc1
InChIInChI=1S/C27H24N4O5/c1-31(15-22(28)32)26(34)17-9-6-10-19(13-17)29-24(16-7-4-3-5-8-16)23-20-12-11-18(27(35)36-2)14-21(20)30-25(23)33/h3-14,23H,15H2,1-2H3,(H2,28,32)(H,30,33)/b29-24+
InChIKeyRXUUUJMUAGIQLE-RMLRFSFXSA-N
MW484.51 g/mol
LogP2.89
Rot. Bonds7

About methyl 3-[N-[3-[(2-amino-2-oxoethyl)-methylcarbamoyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxylate

methyl 3-[N-[3-[(2-amino-2-oxoethyl)-methylcarbamoyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxylate (PubChem CID 90715130) has the molecular formula C27H24N4O5 and a molecular weight of 484.51 g/mol. Its IUPAC name is methyl 3-[N-[3-[(2-amino-2-oxoethyl)-methylcarbamoyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-[N-[3-[(2-amino-2-oxoethyl)-methylcarbamoyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxylate
PubChem CID90715130
Molecular FormulaC27H24N4O5
Molecular Weight484.51 g/mol
Exact Mass484.17
IUPAC Namemethyl 3-[N-[3-[(2-amino-2-oxoethyl)-methylcarbamoyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)NC(=O)C2/C(=N/c1cccc(C(=O)N(C)CC(N)=O)c1)c1ccccc1
InChIInChI=1S/C27H24N4O5/c1-31(15-22(28)32)26(34)17-9-6-10-19(13-17)29-24(16-7-4-3-5-8-16)23-20-12-11-18(27(35)36-2)14-21(20)30-25(23)33/h3-14,23H,15H2,1-2H3,(H2,28,32)(H,30,33)/b29-24+
InChIKeyRXUUUJMUAGIQLE-RMLRFSFXSA-N
XLogP2.89
TPSA131.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.51
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze methyl 3-[N-[3-[(2-amino-2-oxoethyl)-methylcarbamoyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-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

methyl 3-[N-(4-carbamoylphenyl)-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxylate
CID 91376806
methyl 3-[N-[4-[[2-(dimethylamino)-2-oxoethyl]amino]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxylate
CID 91195755
methyl 3-[N-[3-chloro-4-[(dimethylamino)methyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxylate
CID 91212830
methyl 3-[N-[4-[[dimethylcarbamoyl(methyl)amino]methyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxylate
CID 91279111
methyl 3-[N-[4-[(dibenzylamino)methyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxylate
CID 90853966
methyl 3-[N-[3-cyano-4-[(dimethylamino)methyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxylate
CID 90844577
2-[[2-(dimethylamino)acetyl]-methylamino]-5-[[(6-methoxycarbonyl-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]benzoic acid
CID 91061883
methyl 3-[N-[4-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxylate
CID 91215946
methyl 3-[N-[4-[2-(ethylamino)ethyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxylate
CID 91453626
methyl 4-[[(6-amino-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]benzoate
CID 91410276
methyl 3-[N-[4-[[3-(dimethylamino)propyl-methylamino]methyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxylate
CID 91615607
methyl 2-oxo-3-[C-phenyl-N-[4-[(propan-2-ylamino)methyl]phenyl]carbonimidoyl]-1,3-dihydroindole-6-carboxylate
CID 91483977

Frequently Asked Questions

What is the IUPAC name of methyl 3-[N-[3-[(2-amino-2-oxoethyl)-methylcarbamoyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxylate?
The IUPAC name of methyl 3-[N-[3-[(2-amino-2-oxoethyl)-methylcarbamoyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxylate (CID 90715130) is methyl 3-[N-[3-[(2-amino-2-oxoethyl)-methylcarbamoyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxylate.
What is the SMILES notation for methyl 3-[N-[3-[(2-amino-2-oxoethyl)-methylcarbamoyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxylate?
The canonical SMILES for methyl 3-[N-[3-[(2-amino-2-oxoethyl)-methylcarbamoyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxylate is COC(=O)c1ccc2c(c1)NC(=O)C2/C(=N/c1cccc(C(=O)N(C)CC(N)=O)c1)c1ccccc1.
What is the InChIKey of methyl 3-[N-[3-[(2-amino-2-oxoethyl)-methylcarbamoyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxylate?
The InChIKey is RXUUUJMUAGIQLE-RMLRFSFXSA-N. The full InChI is InChI=1S/C27H24N4O5/c1-31(15-22(28)32)26(34)17-9-6-10-19(13-17)29-24(16-7-4-3-5-8-16)23-20-12-11-18(27(35)36-2)14-21(20)30-25(23)33/h3-14,23H,15H2,1-2H3,(H2,28,32)(H,30,33)/b29-24+.
What are the key properties of methyl 3-[N-[3-[(2-amino-2-oxoethyl)-methylcarbamoyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxylate?
methyl 3-[N-[3-[(2-amino-2-oxoethyl)-methylcarbamoyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxylate has a molecular weight of 484.51 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[N-[3-[(2-amino-2-oxoethyl)-methylcarbamoyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxylate is sourced from PubChem (CID 90715130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).