4-methoxy-N-[3-[6-[3-(4-methoxyanilino)propoxy]naphthalen-2-yl]oxypropyl]aniline

C30H34N2O4 — CID 10096933

IUPAC4-methoxy-N-[3-[6-[3-(4-methoxyanilino)propoxy]naphthalen-2-yl]oxypropyl]aniline
SMILESCOc1ccc(NCCCOc2ccc3cc(OCCCNc4ccc(OC)cc4)ccc3c2)cc1
InChIInChI=1S/C30H34N2O4/c1-33-27-13-7-25(8-14-27)31-17-3-19-35-29-11-5-24-22-30(12-6-23(24)21-29)36-20-4-18-32-26-9-15-28(34-2)16-10-26/h5-16,21-22,31-32H,3-4,17-20H2,1-2H3
InChIKeyONXLYDBGMAJMDZ-UHFFFAOYSA-N
MW486.61 g/mol
LogP6.62
Rot. Bonds14

About 4-methoxy-N-[3-[6-[3-(4-methoxyanilino)propoxy]naphthalen-2-yl]oxypropyl]aniline

4-methoxy-N-[3-[6-[3-(4-methoxyanilino)propoxy]naphthalen-2-yl]oxypropyl]aniline (PubChem CID 10096933) has the molecular formula C30H34N2O4 and a molecular weight of 486.61 g/mol. Its IUPAC name is 4-methoxy-N-[3-[6-[3-(4-methoxyanilino)propoxy]naphthalen-2-yl]oxypropyl]aniline.

Molecular Properties

Compound Name4-methoxy-N-[3-[6-[3-(4-methoxyanilino)propoxy]naphthalen-2-yl]oxypropyl]aniline
PubChem CID10096933
Molecular FormulaC30H34N2O4
Molecular Weight486.61 g/mol
Exact Mass486.25
IUPAC Name4-methoxy-N-[3-[6-[3-(4-methoxyanilino)propoxy]naphthalen-2-yl]oxypropyl]aniline
SMILESCOc1ccc(NCCCOc2ccc3cc(OCCCNc4ccc(OC)cc4)ccc3c2)cc1
InChIInChI=1S/C30H34N2O4/c1-33-27-13-7-25(8-14-27)31-17-3-19-35-29-11-5-24-22-30(12-6-23(24)21-29)36-20-4-18-32-26-9-15-28(34-2)16-10-26/h5-16,21-22,31-32H,3-4,17-20H2,1-2H3
InChIKeyONXLYDBGMAJMDZ-UHFFFAOYSA-N
XLogP6.62
TPSA60.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.61
LogP ≤ 56.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-(3-methoxypropyl)aniline
CID 60925973
4-methoxy-N-(2-phenoxyethyl)aniline
CID 39347663
4-[2-(4-methoxyanilino)ethoxy]phenol
CID 71735773
4-iodo-N-[2-(4-methoxyphenoxy)ethyl]aniline
CID 60679168
4-[(6-methoxynaphthalen-2-yl)amino]butan-1-ol
CID 115217433
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-4-methoxyaniline
CID 54796773
3-fluoro-N-[3-(4-methoxyphenoxy)propyl]aniline
CID 82096015
N-[2-(4-methoxyphenoxy)ethyl]-4-methylsulfanylaniline
CID 60681036
N'-(4-methoxyphenyl)-N-(3-methoxypropyl)ethane-1,2-diamine
CID 54805853
3-[2-(4-methoxyanilino)ethoxy]benzoic acid
CID 103234904
4-butoxy-N-butylaniline
CID 15112153
4-methoxy-N-(4-methylsulfanylbutyl)aniline
CID 103087220

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-[6-[3-(4-methoxyanilino)propoxy]naphthalen-2-yl]oxypropyl]aniline?
The IUPAC name of 4-methoxy-N-[3-[6-[3-(4-methoxyanilino)propoxy]naphthalen-2-yl]oxypropyl]aniline (CID 10096933) is 4-methoxy-N-[3-[6-[3-(4-methoxyanilino)propoxy]naphthalen-2-yl]oxypropyl]aniline.
What is the SMILES notation for 4-methoxy-N-[3-[6-[3-(4-methoxyanilino)propoxy]naphthalen-2-yl]oxypropyl]aniline?
The canonical SMILES for 4-methoxy-N-[3-[6-[3-(4-methoxyanilino)propoxy]naphthalen-2-yl]oxypropyl]aniline is COc1ccc(NCCCOc2ccc3cc(OCCCNc4ccc(OC)cc4)ccc3c2)cc1.
What is the InChIKey of 4-methoxy-N-[3-[6-[3-(4-methoxyanilino)propoxy]naphthalen-2-yl]oxypropyl]aniline?
The InChIKey is ONXLYDBGMAJMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O4/c1-33-27-13-7-25(8-14-27)31-17-3-19-35-29-11-5-24-22-30(12-6-23(24)21-29)36-20-4-18-32-26-9-15-28(34-2)16-10-26/h5-16,21-22,31-32H,3-4,17-20H2,1-2H3.
What are the key properties of 4-methoxy-N-[3-[6-[3-(4-methoxyanilino)propoxy]naphthalen-2-yl]oxypropyl]aniline?
4-methoxy-N-[3-[6-[3-(4-methoxyanilino)propoxy]naphthalen-2-yl]oxypropyl]aniline has a molecular weight of 486.61 g/mol, XLogP of 6.62, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-[6-[3-(4-methoxyanilino)propoxy]naphthalen-2-yl]oxypropyl]aniline is sourced from PubChem (CID 10096933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).