N-[(Z)-[3-methoxy-4-[(4-methylnaphthalen-1-yl)methoxy]phenyl]methylideneamino]-N-methylaniline

C27H26N2O2 — CID 7244902

IUPACN-[(Z)-[3-methoxy-4-[(4-methylnaphthalen-1-yl)methoxy]phenyl]methylideneamino]-N-methylaniline
SMILESCOc1cc(/C=N\N(C)c2ccccc2)ccc1OCc1ccc(C)c2ccccc12
InChIInChI=1S/C27H26N2O2/c1-20-13-15-22(25-12-8-7-11-24(20)25)19-31-26-16-14-21(17-27(26)30-3)18-28-29(2)23-9-5-4-6-10-23/h4-18H,19H2,1-3H3/b28-18-
InChIKeyBVZGHUYNWLWTKO-VEILYXNESA-N
MW410.52 g/mol
LogP6.21
Rot. Bonds7

About N-[(Z)-[3-methoxy-4-[(4-methylnaphthalen-1-yl)methoxy]phenyl]methylideneamino]-N-methylaniline

N-[(Z)-[3-methoxy-4-[(4-methylnaphthalen-1-yl)methoxy]phenyl]methylideneamino]-N-methylaniline (PubChem CID 7244902) has the molecular formula C27H26N2O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-[(Z)-[3-methoxy-4-[(4-methylnaphthalen-1-yl)methoxy]phenyl]methylideneamino]-N-methylaniline.

Molecular Properties

Compound NameN-[(Z)-[3-methoxy-4-[(4-methylnaphthalen-1-yl)methoxy]phenyl]methylideneamino]-N-methylaniline
PubChem CID7244902
Molecular FormulaC27H26N2O2
Molecular Weight410.52 g/mol
Exact Mass410.20
IUPAC NameN-[(Z)-[3-methoxy-4-[(4-methylnaphthalen-1-yl)methoxy]phenyl]methylideneamino]-N-methylaniline
SMILESCOc1cc(/C=N\N(C)c2ccccc2)ccc1OCc1ccc(C)c2ccccc12
InChIInChI=1S/C27H26N2O2/c1-20-13-15-22(25-12-8-7-11-24(20)25)19-31-26-16-14-21(17-27(26)30-3)18-28-29(2)23-9-5-4-6-10-23/h4-18H,19H2,1-3H3/b28-18-
InChIKeyBVZGHUYNWLWTKO-VEILYXNESA-N
XLogP6.21
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-N-methylmethanamine
CID 96885458
2,6-dimethoxy-4-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenol
CID 135779670
N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-methylmethanamine
CID 23908591
(NZ)-N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 91681827
N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-N-phenylaniline
CID 4065737
N-[(3-methoxyphenyl)methylideneamino]-N-methylaniline
CID 3291693
N-[[4-methoxy-3-[(2-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382744
N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110338414
1-ethyl-3-[(E)-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]thiourea
CID 5349905
2-[4-[(Z)-(diphenylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide
CID 126027803
[4-[(2-bromophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazine
CID 168530513
[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazine
CID 23944748

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-methoxy-4-[(4-methylnaphthalen-1-yl)methoxy]phenyl]methylideneamino]-N-methylaniline?
The IUPAC name of N-[(Z)-[3-methoxy-4-[(4-methylnaphthalen-1-yl)methoxy]phenyl]methylideneamino]-N-methylaniline (CID 7244902) is N-[(Z)-[3-methoxy-4-[(4-methylnaphthalen-1-yl)methoxy]phenyl]methylideneamino]-N-methylaniline.
What is the SMILES notation for N-[(Z)-[3-methoxy-4-[(4-methylnaphthalen-1-yl)methoxy]phenyl]methylideneamino]-N-methylaniline?
The canonical SMILES for N-[(Z)-[3-methoxy-4-[(4-methylnaphthalen-1-yl)methoxy]phenyl]methylideneamino]-N-methylaniline is COc1cc(/C=N\N(C)c2ccccc2)ccc1OCc1ccc(C)c2ccccc12.
What is the InChIKey of N-[(Z)-[3-methoxy-4-[(4-methylnaphthalen-1-yl)methoxy]phenyl]methylideneamino]-N-methylaniline?
The InChIKey is BVZGHUYNWLWTKO-VEILYXNESA-N. The full InChI is InChI=1S/C27H26N2O2/c1-20-13-15-22(25-12-8-7-11-24(20)25)19-31-26-16-14-21(17-27(26)30-3)18-28-29(2)23-9-5-4-6-10-23/h4-18H,19H2,1-3H3/b28-18-.
What are the key properties of N-[(Z)-[3-methoxy-4-[(4-methylnaphthalen-1-yl)methoxy]phenyl]methylideneamino]-N-methylaniline?
N-[(Z)-[3-methoxy-4-[(4-methylnaphthalen-1-yl)methoxy]phenyl]methylideneamino]-N-methylaniline has a molecular weight of 410.52 g/mol, XLogP of 6.21, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3-methoxy-4-[(4-methylnaphthalen-1-yl)methoxy]phenyl]methylideneamino]-N-methylaniline is sourced from PubChem (CID 7244902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).