2-O-(diethylamino) 3-O-methyl 4-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-1-phenylmethoxynaphthalene-2,3-dicarboxylate

C35H39NO10 — CID 10770327

IUPAC2-O-(diethylamino) 3-O-methyl 4-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-1-phenylmethoxynaphthalene-2,3-dicarboxylate
SMILESCCN(CC)OC(=O)c1c(C(=O)OC)c(-c2ccc(OC)c(OC)c2)c2c(OC)c(OC)c(OC)cc2c1OCc1ccccc1
InChIInChI=1S/C35H39NO10/c1-9-36(10-2)46-35(38)30-29(34(37)44-8)27(22-16-17-24(39-3)25(18-22)40-4)28-23(19-26(41-5)32(42-6)33(28)43-7)31(30)45-20-21-14-12-11-13-15-21/h11-19H,9-10,20H2,1-8H3
InChIKeyPAMPCIRJAMRLQO-UHFFFAOYSA-N
MW633.69 g/mol
LogP6.33
Rot. Bonds14

About 2-O-(diethylamino) 3-O-methyl 4-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-1-phenylmethoxynaphthalene-2,3-dicarboxylate

2-O-(diethylamino) 3-O-methyl 4-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-1-phenylmethoxynaphthalene-2,3-dicarboxylate (PubChem CID 10770327) has the molecular formula C35H39NO10 and a molecular weight of 633.69 g/mol. Its IUPAC name is 2-O-(diethylamino) 3-O-methyl 4-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-1-phenylmethoxynaphthalene-2,3-dicarboxylate.

Molecular Properties

Compound Name2-O-(diethylamino) 3-O-methyl 4-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-1-phenylmethoxynaphthalene-2,3-dicarboxylate
PubChem CID10770327
Molecular FormulaC35H39NO10
Molecular Weight633.69 g/mol
Exact Mass633.26
IUPAC Name2-O-(diethylamino) 3-O-methyl 4-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-1-phenylmethoxynaphthalene-2,3-dicarboxylate
SMILESCCN(CC)OC(=O)c1c(C(=O)OC)c(-c2ccc(OC)c(OC)c2)c2c(OC)c(OC)c(OC)cc2c1OCc1ccccc1
InChIInChI=1S/C35H39NO10/c1-9-36(10-2)46-35(38)30-29(34(37)44-8)27(22-16-17-24(39-3)25(18-22)40-4)28-23(19-26(41-5)32(42-6)33(28)43-7)31(30)45-20-21-14-12-11-13-15-21/h11-19H,9-10,20H2,1-8H3
InChIKeyPAMPCIRJAMRLQO-UHFFFAOYSA-N
XLogP6.33
TPSA111.22 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500633.69
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 2-O-(diethylamino) 3-O-methyl 4-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-1-phenylmethoxynaphthalene-2,3-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-O-(diethylamino) 3-O-methyl 4-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-1-phenylmethoxynaphthalene-2,3-dicarboxylate?
The IUPAC name of 2-O-(diethylamino) 3-O-methyl 4-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-1-phenylmethoxynaphthalene-2,3-dicarboxylate (CID 10770327) is 2-O-(diethylamino) 3-O-methyl 4-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-1-phenylmethoxynaphthalene-2,3-dicarboxylate.
What is the SMILES notation for 2-O-(diethylamino) 3-O-methyl 4-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-1-phenylmethoxynaphthalene-2,3-dicarboxylate?
The canonical SMILES for 2-O-(diethylamino) 3-O-methyl 4-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-1-phenylmethoxynaphthalene-2,3-dicarboxylate is CCN(CC)OC(=O)c1c(C(=O)OC)c(-c2ccc(OC)c(OC)c2)c2c(OC)c(OC)c(OC)cc2c1OCc1ccccc1.
What is the InChIKey of 2-O-(diethylamino) 3-O-methyl 4-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-1-phenylmethoxynaphthalene-2,3-dicarboxylate?
The InChIKey is PAMPCIRJAMRLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H39NO10/c1-9-36(10-2)46-35(38)30-29(34(37)44-8)27(22-16-17-24(39-3)25(18-22)40-4)28-23(19-26(41-5)32(42-6)33(28)43-7)31(30)45-20-21-14-12-11-13-15-21/h11-19H,9-10,20H2,1-8H3.
What are the key properties of 2-O-(diethylamino) 3-O-methyl 4-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-1-phenylmethoxynaphthalene-2,3-dicarboxylate?
2-O-(diethylamino) 3-O-methyl 4-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-1-phenylmethoxynaphthalene-2,3-dicarboxylate has a molecular weight of 633.69 g/mol, XLogP of 6.33, 14 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-(diethylamino) 3-O-methyl 4-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-1-phenylmethoxynaphthalene-2,3-dicarboxylate is sourced from PubChem (CID 10770327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).