N-[4-[(E)-N-methoxy-C-[(E)-N-[[2-[(E)-N-methoxy-C-(methylcarbamoyl)carbonimidoyl]phenyl]methoxy]-C-methylcarbonimidoyl]carbonimidoyl]phenyl]-N,2,2-trimethylpropanamide

C27H35N5O5 — CID 59033390

IUPACN-[4-[(E)-N-methoxy-C-[(E)-N-[[2-[(E)-N-methoxy-C-(methylcarbamoyl)carbonimidoyl]phenyl]methoxy]-C-methylcarbonimidoyl]carbonimidoyl]phenyl]-N,2,2-trimethylpropanamide
SMILESCNC(=O)/C(=N/OC)c1ccccc1CO/N=C(C)/C(=N/OC)c1ccc(N(C)C(=O)C(C)(C)C)cc1
InChIInChI=1S/C27H35N5O5/c1-18(29-37-17-20-11-9-10-12-22(20)24(31-36-8)25(33)28-5)23(30-35-7)19-13-15-21(16-14-19)32(6)26(34)27(2,3)4/h9-16H,17H2,1-8H3,(H,28,33)/b29-18+,30-23-,31-24+
InChIKeyWSSXBPXSZACCAN-XKVOGIHKSA-N
MW509.61 g/mol
LogP3.74
Rot. Bonds10

About N-[4-[(E)-N-methoxy-C-[(E)-N-[[2-[(E)-N-methoxy-C-(methylcarbamoyl)carbonimidoyl]phenyl]methoxy]-C-methylcarbonimidoyl]carbonimidoyl]phenyl]-N,2,2-trimethylpropanamide

N-[4-[(E)-N-methoxy-C-[(E)-N-[[2-[(E)-N-methoxy-C-(methylcarbamoyl)carbonimidoyl]phenyl]methoxy]-C-methylcarbonimidoyl]carbonimidoyl]phenyl]-N,2,2-trimethylpropanamide (PubChem CID 59033390) has the molecular formula C27H35N5O5 and a molecular weight of 509.61 g/mol. Its IUPAC name is N-[4-[(E)-N-methoxy-C-[(E)-N-[[2-[(E)-N-methoxy-C-(methylcarbamoyl)carbonimidoyl]phenyl]methoxy]-C-methylcarbonimidoyl]carbonimidoyl]phenyl]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound NameN-[4-[(E)-N-methoxy-C-[(E)-N-[[2-[(E)-N-methoxy-C-(methylcarbamoyl)carbonimidoyl]phenyl]methoxy]-C-methylcarbonimidoyl]carbonimidoyl]phenyl]-N,2,2-trimethylpropanamide
PubChem CID59033390
Molecular FormulaC27H35N5O5
Molecular Weight509.61 g/mol
Exact Mass509.26
IUPAC NameN-[4-[(E)-N-methoxy-C-[(E)-N-[[2-[(E)-N-methoxy-C-(methylcarbamoyl)carbonimidoyl]phenyl]methoxy]-C-methylcarbonimidoyl]carbonimidoyl]phenyl]-N,2,2-trimethylpropanamide
SMILESCNC(=O)/C(=N/OC)c1ccccc1CO/N=C(C)/C(=N/OC)c1ccc(N(C)C(=O)C(C)(C)C)cc1
InChIInChI=1S/C27H35N5O5/c1-18(29-37-17-20-11-9-10-12-22(20)24(31-36-8)25(33)28-5)23(30-35-7)19-13-15-21(16-14-19)32(6)26(34)27(2,3)4/h9-16H,17H2,1-8H3,(H,28,33)/b29-18+,30-23-,31-24+
InChIKeyWSSXBPXSZACCAN-XKVOGIHKSA-N
XLogP3.74
TPSA114.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.61
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4-[(E)-N-methoxy-C-[(E)-N-[[2-[(E)-N-methoxy-C-(methylcarbamoyl)carbonimidoyl]phenyl]methoxy]-C-methylcarbonimidoyl]carbonimidoyl]phenyl]-N,2,2-trimethylpropanamide 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

(2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-1-(4-methylphenyl)ethylideneamino]oxymethyl]phenyl]acetamide
CID 157024287
2-methoxyimino-2-[2-[[(3-methoxyimino-4-phenylbutan-2-ylidene)amino]oxymethyl]phenyl]-N-methylacetamide
CID 72611267
(2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-1-[4-(trifluoromethoxy)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide
CID 156812657
2-[2-[[[1-(4-ethoxy-2-methylphenyl)-1-methoxyiminopropan-2-ylidene]amino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 54525341
2-[2-[[[(1Z)-1-(4-fluorophenyl)-1-methoxyiminobutan-2-ylidene]amino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 59041141
(2Z)-2-methoxyimino-2-[2-[[(Z)-[(1E)-1-methoxyimino-1-(2-methylcyclopropyl)propan-2-ylidene]amino]oxymethyl]phenyl]-N-methylacetamide
CID 91028424
(2E)-2-[2-[[(E)-1-(3-chlorophenyl)ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 156812660
(2Z)-2-(2-ethylphenyl)-2-methoxyimino-N-methylacetamide
CID 22886048
(2Z)-2-methoxyimino-N-methyl-2-[2-[(2-methylphenoxy)methyl]phenyl]acetamide
CID 15335383
methyl 2-[2-[[[1-(4-cyclopentyloxyphenyl)-1-methoxyiminopropan-2-ylidene]amino]oxymethyl]phenyl]-2-methoxyiminoacetate
CID 54000712
(2E)-2-methoxyimino-N-methyl-2-[2-(pyrimidin-2-yloxymethyl)phenyl]acetamide
CID 19429899
methyl N-[2-[[[1-(4-fluorophenyl)-1-methoxyiminopropan-2-ylidene]amino]oxymethyl]phenyl]carbamate
CID 72640020

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-N-methoxy-C-[(E)-N-[[2-[(E)-N-methoxy-C-(methylcarbamoyl)carbonimidoyl]phenyl]methoxy]-C-methylcarbonimidoyl]carbonimidoyl]phenyl]-N,2,2-trimethylpropanamide?
The IUPAC name of N-[4-[(E)-N-methoxy-C-[(E)-N-[[2-[(E)-N-methoxy-C-(methylcarbamoyl)carbonimidoyl]phenyl]methoxy]-C-methylcarbonimidoyl]carbonimidoyl]phenyl]-N,2,2-trimethylpropanamide (CID 59033390) is N-[4-[(E)-N-methoxy-C-[(E)-N-[[2-[(E)-N-methoxy-C-(methylcarbamoyl)carbonimidoyl]phenyl]methoxy]-C-methylcarbonimidoyl]carbonimidoyl]phenyl]-N,2,2-trimethylpropanamide.
What is the SMILES notation for N-[4-[(E)-N-methoxy-C-[(E)-N-[[2-[(E)-N-methoxy-C-(methylcarbamoyl)carbonimidoyl]phenyl]methoxy]-C-methylcarbonimidoyl]carbonimidoyl]phenyl]-N,2,2-trimethylpropanamide?
The canonical SMILES for N-[4-[(E)-N-methoxy-C-[(E)-N-[[2-[(E)-N-methoxy-C-(methylcarbamoyl)carbonimidoyl]phenyl]methoxy]-C-methylcarbonimidoyl]carbonimidoyl]phenyl]-N,2,2-trimethylpropanamide is CNC(=O)/C(=N/OC)c1ccccc1CO/N=C(C)/C(=N/OC)c1ccc(N(C)C(=O)C(C)(C)C)cc1.
What is the InChIKey of N-[4-[(E)-N-methoxy-C-[(E)-N-[[2-[(E)-N-methoxy-C-(methylcarbamoyl)carbonimidoyl]phenyl]methoxy]-C-methylcarbonimidoyl]carbonimidoyl]phenyl]-N,2,2-trimethylpropanamide?
The InChIKey is WSSXBPXSZACCAN-XKVOGIHKSA-N. The full InChI is InChI=1S/C27H35N5O5/c1-18(29-37-17-20-11-9-10-12-22(20)24(31-36-8)25(33)28-5)23(30-35-7)19-13-15-21(16-14-19)32(6)26(34)27(2,3)4/h9-16H,17H2,1-8H3,(H,28,33)/b29-18+,30-23-,31-24+.
What are the key properties of N-[4-[(E)-N-methoxy-C-[(E)-N-[[2-[(E)-N-methoxy-C-(methylcarbamoyl)carbonimidoyl]phenyl]methoxy]-C-methylcarbonimidoyl]carbonimidoyl]phenyl]-N,2,2-trimethylpropanamide?
N-[4-[(E)-N-methoxy-C-[(E)-N-[[2-[(E)-N-methoxy-C-(methylcarbamoyl)carbonimidoyl]phenyl]methoxy]-C-methylcarbonimidoyl]carbonimidoyl]phenyl]-N,2,2-trimethylpropanamide has a molecular weight of 509.61 g/mol, XLogP of 3.74, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-N-methoxy-C-[(E)-N-[[2-[(E)-N-methoxy-C-(methylcarbamoyl)carbonimidoyl]phenyl]methoxy]-C-methylcarbonimidoyl]carbonimidoyl]phenyl]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 59033390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).