N-[(Z)-[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-4-hydroxybenzamide

C22H21N3O2 — CID 5438344

IUPACN-[(Z)-[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-4-hydroxybenzamide
SMILESCN(C)c1ccc(/C(=N\NC(=O)c2ccc(O)cc2)c2ccccc2)cc1
InChIInChI=1S/C22H21N3O2/c1-25(2)19-12-8-17(9-13-19)21(16-6-4-3-5-7-16)23-24-22(27)18-10-14-20(26)15-11-18/h3-15,26H,1-2H3,(H,24,27)/b23-21-
InChIKeyDPLNWXMMSVHTJS-LNVKXUELSA-N
MW359.43 g/mol
LogP3.64
Rot. Bonds5

About N-[(Z)-[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-4-hydroxybenzamide

N-[(Z)-[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-4-hydroxybenzamide (PubChem CID 5438344) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[(Z)-[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[(Z)-[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-4-hydroxybenzamide
PubChem CID5438344
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-[(Z)-[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-4-hydroxybenzamide
SMILESCN(C)c1ccc(/C(=N\NC(=O)c2ccc(O)cc2)c2ccccc2)cc1
InChIInChI=1S/C22H21N3O2/c1-25(2)19-12-8-17(9-13-19)21(16-6-4-3-5-7-16)23-24-22(27)18-10-14-20(26)15-11-18/h3-15,26H,1-2H3,(H,24,27)/b23-21-
InChIKeyDPLNWXMMSVHTJS-LNVKXUELSA-N
XLogP3.64
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.64
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

4-(dimethylamino)-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 6524785
N-[[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-3,5-dinitrobenzamide
CID 3090062
4-(dimethylamino)-N-[(2-methyl-1-phenylpropylidene)amino]benzamide
CID 3512909
4-hydroxy-N-[[phenyl(pyridin-3-yl)methylidene]amino]benzamide
CID 5058601
1-[(E)-[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-2-phenylguanidine
CID 10043892
5-ethyl-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]thiophene-3-carboxamide
CID 135647739
N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]-4-(dimethylamino)benzamide
CID 135858074
N-(2-benzamidoethyl)-4-(dimethylamino)benzamide
CID 38175898
[4-(dimethylamino)phenyl]-phenylmethanone
CID 10737
4-(dimethylamino)-N-[(Z)-1-(4-methylphenyl)propylideneamino]benzamide
CID 6382403
N-[(E)-1-(3-aminophenyl)ethylideneamino]-4-(dimethylamino)benzamide
CID 5336340
N-(benzhydrylideneamino)-2-hydroxybenzamide
CID 24574931

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-4-hydroxybenzamide?
The IUPAC name of N-[(Z)-[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-4-hydroxybenzamide (CID 5438344) is N-[(Z)-[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-4-hydroxybenzamide.
What is the SMILES notation for N-[(Z)-[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-4-hydroxybenzamide?
The canonical SMILES for N-[(Z)-[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-4-hydroxybenzamide is CN(C)c1ccc(/C(=N\NC(=O)c2ccc(O)cc2)c2ccccc2)cc1.
What is the InChIKey of N-[(Z)-[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-4-hydroxybenzamide?
The InChIKey is DPLNWXMMSVHTJS-LNVKXUELSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-25(2)19-12-8-17(9-13-19)21(16-6-4-3-5-7-16)23-24-22(27)18-10-14-20(26)15-11-18/h3-15,26H,1-2H3,(H,24,27)/b23-21-.
What are the key properties of N-[(Z)-[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-4-hydroxybenzamide?
N-[(Z)-[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-4-hydroxybenzamide has a molecular weight of 359.43 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-4-hydroxybenzamide is sourced from PubChem (CID 5438344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).