N-(3,7-dimethylocta-2,6-dienyl)-4-methoxy-N-(4-methoxyphenyl)aniline

C24H31NO2 — CID 69302470

IUPACN-(3,7-dimethylocta-2,6-dienyl)-4-methoxy-N-(4-methoxyphenyl)aniline
SMILESCOc1ccc(N(CC=C(C)CCC=C(C)C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H31NO2/c1-19(2)7-6-8-20(3)17-18-25(21-9-13-23(26-4)14-10-21)22-11-15-24(27-5)16-12-22/h7,9-17H,6,8,18H2,1-5H3
InChIKeyPUTGFMQPDIOGCX-UHFFFAOYSA-N
MW365.52 g/mol
LogP6.53
Rot. Bonds9

About N-(3,7-dimethylocta-2,6-dienyl)-4-methoxy-N-(4-methoxyphenyl)aniline

N-(3,7-dimethylocta-2,6-dienyl)-4-methoxy-N-(4-methoxyphenyl)aniline (PubChem CID 69302470) has the molecular formula C24H31NO2 and a molecular weight of 365.52 g/mol. Its IUPAC name is N-(3,7-dimethylocta-2,6-dienyl)-4-methoxy-N-(4-methoxyphenyl)aniline.

Molecular Properties

Compound NameN-(3,7-dimethylocta-2,6-dienyl)-4-methoxy-N-(4-methoxyphenyl)aniline
PubChem CID69302470
Molecular FormulaC24H31NO2
Molecular Weight365.52 g/mol
Exact Mass365.24
IUPAC NameN-(3,7-dimethylocta-2,6-dienyl)-4-methoxy-N-(4-methoxyphenyl)aniline
SMILESCOc1ccc(N(CC=C(C)CCC=C(C)C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H31NO2/c1-19(2)7-6-8-20(3)17-18-25(21-9-13-23(26-4)14-10-21)22-11-15-24(27-5)16-12-22/h7,9-17H,6,8,18H2,1-5H3
InChIKeyPUTGFMQPDIOGCX-UHFFFAOYSA-N
XLogP6.53
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3,7-dimethylocta-2,6-dienyl)-4-methoxy-N-(4-methoxyphenyl)aniline 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

N-decyl-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methoxyaniline
CID 154621173
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methoxy-N-octylaniline
CID 138518689
(2E)-3,7-dimethylocta-2,6-dien-1-ol;4-methoxybenzoic acid
CID 174832774
1-methoxy-4-[(3E)-2,4,8-trimethylnona-3,7-dienyl]benzene
CID 69088540
1-(4-methoxyphenyl)-5-methylhex-4-en-1-one
CID 11160278
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methoxybenzenesulfonamide
CID 162639468
(4E)-2-(4-methoxyphenyl)-5,9-dimethyldeca-4,8-dienoic acid
CID 10518482
2-(3,7-dimethylocta-2,6-dienyl)-4-methoxyphenol
CID 586140
2-N-[(2Z)-3,7-dimethylocta-2,6-dienyl]-4-N-(4-methoxyphenyl)-4-N-methylquinazoline-2,4-diamine
CID 11418622
1-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-(4-methoxyphenyl)triazole
CID 25258923
[(2E)-3,7-dimethylocta-2,6-dienyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 5373772
(4-methoxyphenyl)methyl (2E)-3,7-dimethylocta-2,6-dienoate
CID 170275325

Frequently Asked Questions

What is the IUPAC name of N-(3,7-dimethylocta-2,6-dienyl)-4-methoxy-N-(4-methoxyphenyl)aniline?
The IUPAC name of N-(3,7-dimethylocta-2,6-dienyl)-4-methoxy-N-(4-methoxyphenyl)aniline (CID 69302470) is N-(3,7-dimethylocta-2,6-dienyl)-4-methoxy-N-(4-methoxyphenyl)aniline.
What is the SMILES notation for N-(3,7-dimethylocta-2,6-dienyl)-4-methoxy-N-(4-methoxyphenyl)aniline?
The canonical SMILES for N-(3,7-dimethylocta-2,6-dienyl)-4-methoxy-N-(4-methoxyphenyl)aniline is COc1ccc(N(CC=C(C)CCC=C(C)C)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-(3,7-dimethylocta-2,6-dienyl)-4-methoxy-N-(4-methoxyphenyl)aniline?
The InChIKey is PUTGFMQPDIOGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO2/c1-19(2)7-6-8-20(3)17-18-25(21-9-13-23(26-4)14-10-21)22-11-15-24(27-5)16-12-22/h7,9-17H,6,8,18H2,1-5H3.
What are the key properties of N-(3,7-dimethylocta-2,6-dienyl)-4-methoxy-N-(4-methoxyphenyl)aniline?
N-(3,7-dimethylocta-2,6-dienyl)-4-methoxy-N-(4-methoxyphenyl)aniline has a molecular weight of 365.52 g/mol, XLogP of 6.53, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,7-dimethylocta-2,6-dienyl)-4-methoxy-N-(4-methoxyphenyl)aniline is sourced from PubChem (CID 69302470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).