(Z)-N-methyl-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenamine;2-propylpentanal

C25H34N2O2 — CID 143726712

IUPAC(Z)-N-methyl-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenamine;2-propylpentanal
SMILESC=N/C(=C(/NC)OCc1ccccc1)c1ccccc1.CCCC(C=O)CCC
InChIInChI=1S/C17H18N2O.C8H16O/c1-18-16(15-11-7-4-8-12-15)17(19-2)20-13-14-9-5-3-6-10-14;1-3-5-8(7-9)6-4-2/h3-12,19H,1,13H2,2H3;7-8H,3-6H2,1-2H3/b17-16-;
InChIKeySEWWXFAWIFRIGC-XYJRJTJESA-N
MW394.56 g/mol
LogP5.85
Rot. Bonds11

About (Z)-N-methyl-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenamine;2-propylpentanal

(Z)-N-methyl-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenamine;2-propylpentanal (PubChem CID 143726712) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is (Z)-N-methyl-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenamine;2-propylpentanal.

Molecular Properties

Compound Name(Z)-N-methyl-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenamine;2-propylpentanal
PubChem CID143726712
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC Name(Z)-N-methyl-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenamine;2-propylpentanal
SMILESC=N/C(=C(/NC)OCc1ccccc1)c1ccccc1.CCCC(C=O)CCC
InChIInChI=1S/C17H18N2O.C8H16O/c1-18-16(15-11-7-4-8-12-15)17(19-2)20-13-14-9-5-3-6-10-14;1-3-5-8(7-9)6-4-2/h3-12,19H,1,13H2,2H3;7-8H,3-6H2,1-2H3/b17-16-;
InChIKeySEWWXFAWIFRIGC-XYJRJTJESA-N
XLogP5.85
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenamine;2-propylpentanal?
The IUPAC name of (Z)-N-methyl-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenamine;2-propylpentanal (CID 143726712) is (Z)-N-methyl-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenamine;2-propylpentanal.
What is the SMILES notation for (Z)-N-methyl-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenamine;2-propylpentanal?
The canonical SMILES for (Z)-N-methyl-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenamine;2-propylpentanal is C=N/C(=C(/NC)OCc1ccccc1)c1ccccc1.CCCC(C=O)CCC.
What is the InChIKey of (Z)-N-methyl-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenamine;2-propylpentanal?
The InChIKey is SEWWXFAWIFRIGC-XYJRJTJESA-N. The full InChI is InChI=1S/C17H18N2O.C8H16O/c1-18-16(15-11-7-4-8-12-15)17(19-2)20-13-14-9-5-3-6-10-14;1-3-5-8(7-9)6-4-2/h3-12,19H,1,13H2,2H3;7-8H,3-6H2,1-2H3/b17-16-;.
What are the key properties of (Z)-N-methyl-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenamine;2-propylpentanal?
(Z)-N-methyl-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenamine;2-propylpentanal has a molecular weight of 394.56 g/mol, XLogP of 5.85, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenamine;2-propylpentanal is sourced from PubChem (CID 143726712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).