N-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenylmethoxybenzamide

C23H23N3O2 — CID 4932922

IUPACN-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenylmethoxybenzamide
SMILESCN(C)c1ccc(C=NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C23H23N3O2/c1-26(2)21-12-8-18(9-13-21)16-24-25-23(27)20-10-14-22(15-11-20)28-17-19-6-4-3-5-7-19/h3-16H,17H2,1-2H3,(H,25,27)
InChIKeySXYRHPIAMQKUKL-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.10
Rot. Bonds7

About N-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenylmethoxybenzamide

N-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenylmethoxybenzamide (PubChem CID 4932922) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenylmethoxybenzamide
PubChem CID4932922
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC NameN-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenylmethoxybenzamide
SMILESCN(C)c1ccc(C=NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C23H23N3O2/c1-26(2)21-12-8-18(9-13-21)16-24-25-23(27)20-10-14-22(15-11-20)28-17-19-6-4-3-5-7-19/h3-16H,17H2,1-2H3,(H,25,27)
InChIKeySXYRHPIAMQKUKL-UHFFFAOYSA-N
XLogP4.10
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.10
H-Bond Donors ≤ 51
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-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-4-phenylmethoxybenzamide
CID 6234024
N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide
CID 5401763
4-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 584913
N-[(4-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932926
4-[(4-chlorophenyl)methoxy]-N-[(Z)-[4-(N-methylanilino)phenyl]methylideneamino]benzamide
CID 6307220
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92658826
4-chloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6117105
N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 6868906
4-(dimethylamino)-N-[[4-[4-[[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]phenoxy]phenyl]methylideneamino]benzamide
CID 75965267
2-[4-[(Z)-[[4-(phenoxymethyl)benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 8518057
[4-[(Z)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 6047940
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 573095

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenylmethoxybenzamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenylmethoxybenzamide (CID 4932922) is N-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenylmethoxybenzamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenylmethoxybenzamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenylmethoxybenzamide is CN(C)c1ccc(C=NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenylmethoxybenzamide?
The InChIKey is SXYRHPIAMQKUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-26(2)21-12-8-18(9-13-21)16-24-25-23(27)20-10-14-22(15-11-20)28-17-19-6-4-3-5-7-19/h3-16H,17H2,1-2H3,(H,25,27).
What are the key properties of N-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenylmethoxybenzamide?
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenylmethoxybenzamide has a molecular weight of 373.46 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenylmethoxybenzamide is sourced from PubChem (CID 4932922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).