4-methyl-N-phenylmethoxy-1-(1,4,5,8-tetramethoxynaphthalen-2-yl)pent-3-en-1-imine

C27H31NO5 — CID 141167060

IUPAC4-methyl-N-phenylmethoxy-1-(1,4,5,8-tetramethoxynaphthalen-2-yl)pent-3-en-1-imine
SMILESCOc1ccc(OC)c2c(OC)c(C(CC=C(C)C)=NOCc3ccccc3)cc(OC)c12
InChIInChI=1S/C27H31NO5/c1-18(2)12-13-21(28-33-17-19-10-8-7-9-11-19)20-16-24(31-5)25-22(29-3)14-15-23(30-4)26(25)27(20)32-6/h7-12,14-16H,13,17H2,1-6H3
InChIKeyXWPVHMKDXAMRFI-UHFFFAOYSA-N
MW449.55 g/mol
LogP6.15
Rot. Bonds10

About 4-methyl-N-phenylmethoxy-1-(1,4,5,8-tetramethoxynaphthalen-2-yl)pent-3-en-1-imine

4-methyl-N-phenylmethoxy-1-(1,4,5,8-tetramethoxynaphthalen-2-yl)pent-3-en-1-imine (PubChem CID 141167060) has the molecular formula C27H31NO5 and a molecular weight of 449.55 g/mol. Its IUPAC name is 4-methyl-N-phenylmethoxy-1-(1,4,5,8-tetramethoxynaphthalen-2-yl)pent-3-en-1-imine.

Molecular Properties

Compound Name4-methyl-N-phenylmethoxy-1-(1,4,5,8-tetramethoxynaphthalen-2-yl)pent-3-en-1-imine
PubChem CID141167060
Molecular FormulaC27H31NO5
Molecular Weight449.55 g/mol
Exact Mass449.22
IUPAC Name4-methyl-N-phenylmethoxy-1-(1,4,5,8-tetramethoxynaphthalen-2-yl)pent-3-en-1-imine
SMILESCOc1ccc(OC)c2c(OC)c(C(CC=C(C)C)=NOCc3ccccc3)cc(OC)c12
InChIInChI=1S/C27H31NO5/c1-18(2)12-13-21(28-33-17-19-10-8-7-9-11-19)20-16-24(31-5)25-22(29-3)14-15-23(30-4)26(25)27(20)32-6/h7-12,14-16H,13,17H2,1-6H3
InChIKeyXWPVHMKDXAMRFI-UHFFFAOYSA-N
XLogP6.15
TPSA58.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.55
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(1,4,6,8-tetramethoxy-5-phenylmethoxynaphthalen-2-yl)ethanone
CID 11596386
4-methyl-1-(1,4,5,8-tetramethoxynaphthalen-2-yl)pent-3-ene-1-thiol
CID 42604877
(1S)-4-methyl-1-(1,4,5,8-tetramethoxynaphthalen-2-yl)pent-3-en-1-ol
CID 118539077
[1-(1,4,5,8-tetramethoxynaphthalen-2-yl)undecylideneamino] propanoate
CID 142629404
[4-acetyloxy-3-(1-hydroxy-4-methylpent-3-enyl)-5,8-dimethoxynaphthalen-1-yl] acetate
CID 141292091
1-phenyl-1-N,3-N-bis(phenylmethoxy)butane-1,3-diimine
CID 87328837
1-(2-methoxyphenyl)-N-phenylmethoxymethanimine
CID 75981021
2-methoxy-4-[(E)-phenylmethoxyiminomethyl]phenol
CID 136913659
2,5,8-trimethoxy-1-phenylmethoxynaphthalene
CID 132576199
methyl (2Z)-3-oxo-2-phenylmethoxyiminobutanoate
CID 10868261
4,5-dimethoxy-6-phenylmethoxynaphthalen-1-ol
CID 13468257
(E)-3-methyl-N-phenylmethoxybutan-2-imine
CID 89386199

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-phenylmethoxy-1-(1,4,5,8-tetramethoxynaphthalen-2-yl)pent-3-en-1-imine?
The IUPAC name of 4-methyl-N-phenylmethoxy-1-(1,4,5,8-tetramethoxynaphthalen-2-yl)pent-3-en-1-imine (CID 141167060) is 4-methyl-N-phenylmethoxy-1-(1,4,5,8-tetramethoxynaphthalen-2-yl)pent-3-en-1-imine.
What is the SMILES notation for 4-methyl-N-phenylmethoxy-1-(1,4,5,8-tetramethoxynaphthalen-2-yl)pent-3-en-1-imine?
The canonical SMILES for 4-methyl-N-phenylmethoxy-1-(1,4,5,8-tetramethoxynaphthalen-2-yl)pent-3-en-1-imine is COc1ccc(OC)c2c(OC)c(C(CC=C(C)C)=NOCc3ccccc3)cc(OC)c12.
What is the InChIKey of 4-methyl-N-phenylmethoxy-1-(1,4,5,8-tetramethoxynaphthalen-2-yl)pent-3-en-1-imine?
The InChIKey is XWPVHMKDXAMRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO5/c1-18(2)12-13-21(28-33-17-19-10-8-7-9-11-19)20-16-24(31-5)25-22(29-3)14-15-23(30-4)26(25)27(20)32-6/h7-12,14-16H,13,17H2,1-6H3.
What are the key properties of 4-methyl-N-phenylmethoxy-1-(1,4,5,8-tetramethoxynaphthalen-2-yl)pent-3-en-1-imine?
4-methyl-N-phenylmethoxy-1-(1,4,5,8-tetramethoxynaphthalen-2-yl)pent-3-en-1-imine has a molecular weight of 449.55 g/mol, XLogP of 6.15, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-phenylmethoxy-1-(1,4,5,8-tetramethoxynaphthalen-2-yl)pent-3-en-1-imine is sourced from PubChem (CID 141167060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).