(2E,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-N-[(3-methoxyphenyl)methyl]-2,6,10-trimethyltrideca-2,6,10-trienamide

C35H47NO4 — CID 162652964

IUPAC(2E,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-N-[(3-methoxyphenyl)methyl]-2,6,10-trimethyltrideca-2,6,10-trienamide
SMILESCOc1cccc(CNC(=O)/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC[C@]2(C)CCc3cc(O)cc(C)c3O2)c1
InChIInChI=1S/C35H47NO4/c1-25(13-8-15-27(3)34(38)36-24-29-16-9-17-32(22-29)39-6)11-7-12-26(2)14-10-19-35(5)20-18-30-23-31(37)21-28(4)33(30)40-35/h9,11,14-17,21-23,37H,7-8,10,12-13,18-20,24H2,1-6H3,(H,36,38)/b25-11+,26-14+,27-15+/t35-/m1/s1
InChIKeyWWOYMCMUKJEMPU-JFKYVIAOSA-N
MW545.76 g/mol
LogP8.29
Rot. Bonds13

About (2E,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-N-[(3-methoxyphenyl)methyl]-2,6,10-trimethyltrideca-2,6,10-trienamide

(2E,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-N-[(3-methoxyphenyl)methyl]-2,6,10-trimethyltrideca-2,6,10-trienamide (PubChem CID 162652964) has the molecular formula C35H47NO4 and a molecular weight of 545.76 g/mol. Its IUPAC name is (2E,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-N-[(3-methoxyphenyl)methyl]-2,6,10-trimethyltrideca-2,6,10-trienamide.

Molecular Properties

Compound Name(2E,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-N-[(3-methoxyphenyl)methyl]-2,6,10-trimethyltrideca-2,6,10-trienamide
PubChem CID162652964
Molecular FormulaC35H47NO4
Molecular Weight545.76 g/mol
Exact Mass545.35
IUPAC Name(2E,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-N-[(3-methoxyphenyl)methyl]-2,6,10-trimethyltrideca-2,6,10-trienamide
SMILESCOc1cccc(CNC(=O)/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC[C@]2(C)CCc3cc(O)cc(C)c3O2)c1
InChIInChI=1S/C35H47NO4/c1-25(13-8-15-27(3)34(38)36-24-29-16-9-17-32(22-29)39-6)11-7-12-26(2)14-10-19-35(5)20-18-30-23-31(37)21-28(4)33(30)40-35/h9,11,14-17,21-23,37H,7-8,10,12-13,18-20,24H2,1-6H3,(H,36,38)/b25-11+,26-14+,27-15+/t35-/m1/s1
InChIKeyWWOYMCMUKJEMPU-JFKYVIAOSA-N
XLogP8.29
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.76
LogP ≤ 58.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2E,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-N-[(3-methoxyphenyl)methyl]-2,6,10-trimethyltrideca-2,6,10-trienamide 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,6E,10E)-13-(6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl)-2,6,10-trimethyl-1-morpholin-4-yltrideca-2,6,10-trien-1-one
CID 126648142
4-[[2,8-dimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromen-6-yl]oxy]-4-oxobut-2-enoic acid
CID 67350936
(2R)-2,5,8-trimethyl-2-[(3E,7Z)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol
CID 102242636
N'-[(3-methoxyphenyl)methyl]oxamide
CID 69052749
N'-[(3-methoxyphenyl)methyl]-N-methyloxamide
CID 2206408
N'-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-N-[(3-methoxyphenyl)methyl]oxamide
CID 95983192
N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-[(3-methoxyphenyl)methyl]oxamide
CID 7646917
1-(cyclopentylidenemethyl)-3-[(3-methoxyphenyl)methyl]urea
CID 108913758
N-[(3-methoxyphenyl)methyl]-3-sulfanylpropanamide
CID 107023733
1-(2-chloro-4,6-dimethylphenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 108898402
(2S)-2,5,7-trimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromen-6-ol
CID 162977943
N-[(3-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
CID 17254355

Frequently Asked Questions

What is the IUPAC name of (2E,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-N-[(3-methoxyphenyl)methyl]-2,6,10-trimethyltrideca-2,6,10-trienamide?
The IUPAC name of (2E,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-N-[(3-methoxyphenyl)methyl]-2,6,10-trimethyltrideca-2,6,10-trienamide (CID 162652964) is (2E,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-N-[(3-methoxyphenyl)methyl]-2,6,10-trimethyltrideca-2,6,10-trienamide.
What is the SMILES notation for (2E,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-N-[(3-methoxyphenyl)methyl]-2,6,10-trimethyltrideca-2,6,10-trienamide?
The canonical SMILES for (2E,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-N-[(3-methoxyphenyl)methyl]-2,6,10-trimethyltrideca-2,6,10-trienamide is COc1cccc(CNC(=O)/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC[C@]2(C)CCc3cc(O)cc(C)c3O2)c1.
What is the InChIKey of (2E,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-N-[(3-methoxyphenyl)methyl]-2,6,10-trimethyltrideca-2,6,10-trienamide?
The InChIKey is WWOYMCMUKJEMPU-JFKYVIAOSA-N. The full InChI is InChI=1S/C35H47NO4/c1-25(13-8-15-27(3)34(38)36-24-29-16-9-17-32(22-29)39-6)11-7-12-26(2)14-10-19-35(5)20-18-30-23-31(37)21-28(4)33(30)40-35/h9,11,14-17,21-23,37H,7-8,10,12-13,18-20,24H2,1-6H3,(H,36,38)/b25-11+,26-14+,27-15+/t35-/m1/s1.
What are the key properties of (2E,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-N-[(3-methoxyphenyl)methyl]-2,6,10-trimethyltrideca-2,6,10-trienamide?
(2E,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-N-[(3-methoxyphenyl)methyl]-2,6,10-trimethyltrideca-2,6,10-trienamide has a molecular weight of 545.76 g/mol, XLogP of 8.29, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-N-[(3-methoxyphenyl)methyl]-2,6,10-trimethyltrideca-2,6,10-trienamide is sourced from PubChem (CID 162652964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).