4-(dimethylamino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide

C20H19N3O2 — CID 136737019

IUPAC4-(dimethylamino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
SMILESCN(C)c1ccc(C(=O)N/N=C\c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C20H19N3O2/c1-23(2)16-10-7-15(8-11-16)20(25)22-21-13-18-17-6-4-3-5-14(17)9-12-19(18)24/h3-13,24H,1-2H3,(H,22,25)/b21-13-
InChIKeyZRUUZZGCRUYKMP-BKUYFWCQSA-N
MW333.39 g/mol
LogP3.38
Rot. Bonds4

About 4-(dimethylamino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide

4-(dimethylamino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide (PubChem CID 136737019) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
PubChem CID136737019
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name4-(dimethylamino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
SMILESCN(C)c1ccc(C(=O)N/N=C\c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C20H19N3O2/c1-23(2)16-10-7-15(8-11-16)20(25)22-21-13-18-17-6-4-3-5-14(17)9-12-19(18)24/h3-13,24H,1-2H3,(H,22,25)/b21-13-
InChIKeyZRUUZZGCRUYKMP-BKUYFWCQSA-N
XLogP3.38
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135465938
4-hydroxy-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135400287
4-acetamido-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 966653
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-phenylbenzamide
CID 135472549
N-[1-[4-(dimethylamino)phenyl]-3-[2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
CID 3096619
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 135578967
3-chloro-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzamide
CID 137122870
1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 136829549
1,3-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 135533440
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-(2-oxo-1-pyridinyl)benzamide
CID 146303494
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
CID 172961658
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide
CID 135615439

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide (CID 136737019) is 4-(dimethylamino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide is CN(C)c1ccc(C(=O)N/N=C\c2c(O)ccc3ccccc23)cc1.
What is the InChIKey of 4-(dimethylamino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
The InChIKey is ZRUUZZGCRUYKMP-BKUYFWCQSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-23(2)16-10-7-15(8-11-16)20(25)22-21-13-18-17-6-4-3-5-14(17)9-12-19(18)24/h3-13,24H,1-2H3,(H,22,25)/b21-13-.
What are the key properties of 4-(dimethylamino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
4-(dimethylamino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide has a molecular weight of 333.39 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide is sourced from PubChem (CID 136737019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).