methyl 8-[cyclohexanecarbonyl-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]amino]naphthalene-2-carboxylate

C34H36N2O3 — CID 126718550

IUPACmethyl 8-[cyclohexanecarbonyl-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]amino]naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2cccc(N(Cc3ccc(-c4ccc(N(C)C)cc4)cc3)C(=O)C3CCCCC3)c2c1
InChIInChI=1S/C34H36N2O3/c1-35(2)30-20-18-26(19-21-30)25-14-12-24(13-15-25)23-36(33(37)28-8-5-4-6-9-28)32-11-7-10-27-16-17-29(22-31(27)32)34(38)39-3/h7,10-22,28H,4-6,8-9,23H2,1-3H3
InChIKeyZBJYPAFYJUUWPD-UHFFFAOYSA-N
MW520.67 g/mol
LogP7.47
Rot. Bonds7

About methyl 8-[cyclohexanecarbonyl-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]amino]naphthalene-2-carboxylate

methyl 8-[cyclohexanecarbonyl-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]amino]naphthalene-2-carboxylate (PubChem CID 126718550) has the molecular formula C34H36N2O3 and a molecular weight of 520.67 g/mol. Its IUPAC name is methyl 8-[cyclohexanecarbonyl-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]amino]naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 8-[cyclohexanecarbonyl-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]amino]naphthalene-2-carboxylate
PubChem CID126718550
Molecular FormulaC34H36N2O3
Molecular Weight520.67 g/mol
Exact Mass520.27
IUPAC Namemethyl 8-[cyclohexanecarbonyl-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]amino]naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2cccc(N(Cc3ccc(-c4ccc(N(C)C)cc4)cc3)C(=O)C3CCCCC3)c2c1
InChIInChI=1S/C34H36N2O3/c1-35(2)30-20-18-26(19-21-30)25-14-12-24(13-15-25)23-36(33(37)28-8-5-4-6-9-28)32-11-7-10-27-16-17-29(22-31(27)32)34(38)39-3/h7,10-22,28H,4-6,8-9,23H2,1-3H3
InChIKeyZBJYPAFYJUUWPD-UHFFFAOYSA-N
XLogP7.47
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.67
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 8-[cyclohexanecarbonyl-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]amino]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

methyl 3-[2-[3-[cyclohexanecarbonyl-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]amino]phenyl]-2-oxoethyl]benzoate
CID 153004400
methyl (E)-3-[3-[cyclohexanecarbonyl-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]amino]phenyl]but-2-enoate
CID 126717096
methyl 2-[3-[cyclohexanecarbonyl-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]amino]phenyl]cyclohexane-1-carboxylate
CID 118367920
N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-[methyl(propyl)amino]phenyl]cyclohexanecarboxamide
CID 145278184
2-[3-[cyclohexanecarbonyl-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]amino]-N-methylanilino]acetic acid
CID 126696420
N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-[(E)-3-oxoprop-1-enyl]phenyl]cyclohexanecarboxamide;methoxymethane
CID 144922429
N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-(5-methoxy-3-pyridinyl)phenyl]cyclohexanecarboxamide
CID 126696428
N-[3-[(4-chlorobutylamino)methyl]phenyl]-N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]cyclohexanecarboxamide
CID 126696434
methyl 4-(anilinomethyl)benzoate;methyl 4-[[N-(cyclohexanecarbonyl)anilino]methyl]benzoate
CID 162080781
methyl 4-[cyclopentanecarbonyl(ethyl)amino]benzoate
CID 66998977
2-(dimethylamino)ethyl (E)-3-[3-[cyclohexanecarbonyl-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]amino]phenyl]prop-2-enoate
CID 135310315
N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-(2-pyridin-2-ylethenyl)phenyl]cyclohexanecarboxamide
CID 135344271

Frequently Asked Questions

What is the IUPAC name of methyl 8-[cyclohexanecarbonyl-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]amino]naphthalene-2-carboxylate?
The IUPAC name of methyl 8-[cyclohexanecarbonyl-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]amino]naphthalene-2-carboxylate (CID 126718550) is methyl 8-[cyclohexanecarbonyl-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]amino]naphthalene-2-carboxylate.
What is the SMILES notation for methyl 8-[cyclohexanecarbonyl-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]amino]naphthalene-2-carboxylate?
The canonical SMILES for methyl 8-[cyclohexanecarbonyl-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]amino]naphthalene-2-carboxylate is COC(=O)c1ccc2cccc(N(Cc3ccc(-c4ccc(N(C)C)cc4)cc3)C(=O)C3CCCCC3)c2c1.
What is the InChIKey of methyl 8-[cyclohexanecarbonyl-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]amino]naphthalene-2-carboxylate?
The InChIKey is ZBJYPAFYJUUWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N2O3/c1-35(2)30-20-18-26(19-21-30)25-14-12-24(13-15-25)23-36(33(37)28-8-5-4-6-9-28)32-11-7-10-27-16-17-29(22-31(27)32)34(38)39-3/h7,10-22,28H,4-6,8-9,23H2,1-3H3.
What are the key properties of methyl 8-[cyclohexanecarbonyl-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]amino]naphthalene-2-carboxylate?
methyl 8-[cyclohexanecarbonyl-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]amino]naphthalene-2-carboxylate has a molecular weight of 520.67 g/mol, XLogP of 7.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-[cyclohexanecarbonyl-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]amino]naphthalene-2-carboxylate is sourced from PubChem (CID 126718550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).