N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-hydroxyphenyl)butanamide

C19H23N3O2 — CID 4245734

IUPACN-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-hydroxyphenyl)butanamide
SMILESCN(C)c1ccc(C=NNC(=O)CCCc2ccc(O)cc2)cc1
InChIInChI=1S/C19H23N3O2/c1-22(2)17-10-6-16(7-11-17)14-20-21-19(24)5-3-4-15-8-12-18(23)13-9-15/h6-14,23H,3-5H2,1-2H3,(H,21,24)
InChIKeyINMWIRSJBPGKPF-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.93
Rot. Bonds7

About N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-hydroxyphenyl)butanamide

N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-hydroxyphenyl)butanamide (PubChem CID 4245734) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-hydroxyphenyl)butanamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-hydroxyphenyl)butanamide
PubChem CID4245734
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-hydroxyphenyl)butanamide
SMILESCN(C)c1ccc(C=NNC(=O)CCCc2ccc(O)cc2)cc1
InChIInChI=1S/C19H23N3O2/c1-22(2)17-10-6-16(7-11-17)14-20-21-19(24)5-3-4-15-8-12-18(23)13-9-15/h6-14,23H,3-5H2,1-2H3,(H,21,24)
InChIKeyINMWIRSJBPGKPF-UHFFFAOYSA-N
XLogP2.93
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.93
H-Bond Donors ≤ 52
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)-[4-(dimethylamino)phenyl]methylideneamino]-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]hexanediamide
CID 92856210
N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-N-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]propanediamide
CID 40559065
N,N'-bis[(Z)-(4-hydroxyphenyl)methylideneamino]butanediamide
CID 136704221
N-[(4-hydroxyphenyl)methylideneamino]pentanamide
CID 4590132
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanamide
CID 22613567
N-(1,3-benzodioxol-5-ylmethylideneamino)-4-(4-hydroxyphenyl)butanamide
CID 4239183
N-[[2-chloro-4-(dimethylamino)phenyl]methylideneamino]-3-(4-hydroxyphenyl)propanamide
CID 2796639
4-hydroxy-N-[(Z)-(4-hydroxyphenyl)methylideneamino]butanamide
CID 136668789
N-(4-acetamidophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]butanediamide
CID 171981399
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-methylbutanamide
CID 5407219
1-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-[[4-(dimethylamino)phenyl]methylideneamino]urea
CID 5355984
N'-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]octanediamide
CID 135883129

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-hydroxyphenyl)butanamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-hydroxyphenyl)butanamide (CID 4245734) is N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-hydroxyphenyl)butanamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-hydroxyphenyl)butanamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-hydroxyphenyl)butanamide is CN(C)c1ccc(C=NNC(=O)CCCc2ccc(O)cc2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-hydroxyphenyl)butanamide?
The InChIKey is INMWIRSJBPGKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-22(2)17-10-6-16(7-11-17)14-20-21-19(24)5-3-4-15-8-12-18(23)13-9-15/h6-14,23H,3-5H2,1-2H3,(H,21,24).
What are the key properties of N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-hydroxyphenyl)butanamide?
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-hydroxyphenyl)butanamide has a molecular weight of 325.41 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-hydroxyphenyl)butanamide is sourced from PubChem (CID 4245734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).