ethyl 4-(2-methoxy-2-oxoethyl)-2-[(Z)-C-methyl-N-phenylmethoxycarbonimidoyl]-3,4-dihydro-1H-naphthalene-2-carboxylate

C25H29NO5 — CID 11560893

IUPACethyl 4-(2-methoxy-2-oxoethyl)-2-[(Z)-C-methyl-N-phenylmethoxycarbonimidoyl]-3,4-dihydro-1H-naphthalene-2-carboxylate
SMILESCCOC(=O)C1(/C(C)=N\OCc2ccccc2)Cc2ccccc2C(CC(=O)OC)C1
InChIInChI=1S/C25H29NO5/c1-4-30-24(28)25(18(2)26-31-17-19-10-6-5-7-11-19)15-20-12-8-9-13-22(20)21(16-25)14-23(27)29-3/h5-13,21H,4,14-17H2,1-3H3/b26-18-
InChIKeyXYMMMPKNFAIHES-ITYLOYPMSA-N
MW423.51 g/mol
LogP4.42
Rot. Bonds8

About ethyl 4-(2-methoxy-2-oxoethyl)-2-[(Z)-C-methyl-N-phenylmethoxycarbonimidoyl]-3,4-dihydro-1H-naphthalene-2-carboxylate

ethyl 4-(2-methoxy-2-oxoethyl)-2-[(Z)-C-methyl-N-phenylmethoxycarbonimidoyl]-3,4-dihydro-1H-naphthalene-2-carboxylate (PubChem CID 11560893) has the molecular formula C25H29NO5 and a molecular weight of 423.51 g/mol. Its IUPAC name is ethyl 4-(2-methoxy-2-oxoethyl)-2-[(Z)-C-methyl-N-phenylmethoxycarbonimidoyl]-3,4-dihydro-1H-naphthalene-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-methoxy-2-oxoethyl)-2-[(Z)-C-methyl-N-phenylmethoxycarbonimidoyl]-3,4-dihydro-1H-naphthalene-2-carboxylate
PubChem CID11560893
Molecular FormulaC25H29NO5
Molecular Weight423.51 g/mol
Exact Mass423.20
IUPAC Nameethyl 4-(2-methoxy-2-oxoethyl)-2-[(Z)-C-methyl-N-phenylmethoxycarbonimidoyl]-3,4-dihydro-1H-naphthalene-2-carboxylate
SMILESCCOC(=O)C1(/C(C)=N\OCc2ccccc2)Cc2ccccc2C(CC(=O)OC)C1
InChIInChI=1S/C25H29NO5/c1-4-30-24(28)25(18(2)26-31-17-19-10-6-5-7-11-19)15-20-12-8-9-13-22(20)21(16-25)14-23(27)29-3/h5-13,21H,4,14-17H2,1-3H3/b26-18-
InChIKeyXYMMMPKNFAIHES-ITYLOYPMSA-N
XLogP4.42
TPSA74.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 4-(2-methoxy-2-oxoethyl)-2-[(Z)-C-methyl-N-phenylmethoxycarbonimidoyl]-3,4-dihydro-1H-naphthalene-2-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

diethyl 3-oxo-4-[(3E)-2-oxo-3-phenylmethoxyiminopropyl]cyclopentane-1,1-dicarboxylate
CID 177443094
ethyl (3aR,8bS)-2-(2-methoxy-2-oxoethyl)-8b-methyl-1-phenylmethoxy-3,4-dihydro-2H-indeno[1,2-b]pyrrole-3a-carboxylate
CID 11625991
diethyl 3-phenylmethoxycyclopentane-1,1-dicarboxylate
CID 18970180
diethyl 9-phenyl-5,7,8,9-tetrahydrobenzo[7]annulene-6,6-dicarboxylate
CID 54763664
diethyl 4-[(4-phenoxyphenyl)carbamoyl]-3,4-dihydro-1H-naphthalene-2,2-dicarboxylate
CID 175969652
ethyl 1-acetyl-3-(benzylamino)cyclopentane-1-carboxylate
CID 72761340
diethyl 4-[(4-bromophenyl)carbamoyl]-3,4-dihydro-1H-naphthalene-2,2-dicarboxylate
CID 175969639
ethyl (E)-3-amino-2-[(Z)-C-methyl-N-phenylmethoxycarbonimidoyl]but-2-enoate
CID 59166619
methyl (2Z)-2-(1-adamantyl)-2-phenylmethoxyiminoacetate
CID 15505129
2-O,2-O'-dibenzyl 5-O-methyl (5R)-4,5,7-trimethyl-3,6-dihydro-1H-indene-2,2,5-tricarboxylate
CID 101422012
methyl (2Z)-3-oxo-2-phenylmethoxyiminobutanoate
CID 10868261
methyl 2-(1,2,3,4-tetrahydroisoquinolin-4-yl)acetate
CID 91844783

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-methoxy-2-oxoethyl)-2-[(Z)-C-methyl-N-phenylmethoxycarbonimidoyl]-3,4-dihydro-1H-naphthalene-2-carboxylate?
The IUPAC name of ethyl 4-(2-methoxy-2-oxoethyl)-2-[(Z)-C-methyl-N-phenylmethoxycarbonimidoyl]-3,4-dihydro-1H-naphthalene-2-carboxylate (CID 11560893) is ethyl 4-(2-methoxy-2-oxoethyl)-2-[(Z)-C-methyl-N-phenylmethoxycarbonimidoyl]-3,4-dihydro-1H-naphthalene-2-carboxylate.
What is the SMILES notation for ethyl 4-(2-methoxy-2-oxoethyl)-2-[(Z)-C-methyl-N-phenylmethoxycarbonimidoyl]-3,4-dihydro-1H-naphthalene-2-carboxylate?
The canonical SMILES for ethyl 4-(2-methoxy-2-oxoethyl)-2-[(Z)-C-methyl-N-phenylmethoxycarbonimidoyl]-3,4-dihydro-1H-naphthalene-2-carboxylate is CCOC(=O)C1(/C(C)=N\OCc2ccccc2)Cc2ccccc2C(CC(=O)OC)C1.
What is the InChIKey of ethyl 4-(2-methoxy-2-oxoethyl)-2-[(Z)-C-methyl-N-phenylmethoxycarbonimidoyl]-3,4-dihydro-1H-naphthalene-2-carboxylate?
The InChIKey is XYMMMPKNFAIHES-ITYLOYPMSA-N. The full InChI is InChI=1S/C25H29NO5/c1-4-30-24(28)25(18(2)26-31-17-19-10-6-5-7-11-19)15-20-12-8-9-13-22(20)21(16-25)14-23(27)29-3/h5-13,21H,4,14-17H2,1-3H3/b26-18-.
What are the key properties of ethyl 4-(2-methoxy-2-oxoethyl)-2-[(Z)-C-methyl-N-phenylmethoxycarbonimidoyl]-3,4-dihydro-1H-naphthalene-2-carboxylate?
ethyl 4-(2-methoxy-2-oxoethyl)-2-[(Z)-C-methyl-N-phenylmethoxycarbonimidoyl]-3,4-dihydro-1H-naphthalene-2-carboxylate has a molecular weight of 423.51 g/mol, XLogP of 4.42, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-methoxy-2-oxoethyl)-2-[(Z)-C-methyl-N-phenylmethoxycarbonimidoyl]-3,4-dihydro-1H-naphthalene-2-carboxylate is sourced from PubChem (CID 11560893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).