diethyl-[2-[[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzoyl]amino]ethyl]azanium

C24H28N3O2+ — CID 135750576

IUPACdiethyl-[2-[[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzoyl]amino]ethyl]azanium
SMILESCC[NH+](CC)CCNC(=O)c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C24H27N3O2/c1-3-27(4-2)16-15-25-24(29)19-9-12-20(13-10-19)26-17-22-21-8-6-5-7-18(21)11-14-23(22)28/h5-14,17,28H,3-4,15-16H2,1-2H3,(H,25,29)/p+1/b26-17+
InChIKeyLWZXYSNLIMZLKP-YZSQISJMSA-O
MW390.51 g/mol
LogP2.95
Rot. Bonds8

About diethyl-[2-[[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzoyl]amino]ethyl]azanium

diethyl-[2-[[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzoyl]amino]ethyl]azanium (PubChem CID 135750576) has the molecular formula C24H28N3O2+ and a molecular weight of 390.51 g/mol. Its IUPAC name is diethyl-[2-[[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzoyl]amino]ethyl]azanium.

Molecular Properties

Compound Namediethyl-[2-[[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzoyl]amino]ethyl]azanium
PubChem CID135750576
Molecular FormulaC24H28N3O2+
Molecular Weight390.51 g/mol
Exact Mass390.22
IUPAC Namediethyl-[2-[[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzoyl]amino]ethyl]azanium
SMILESCC[NH+](CC)CCNC(=O)c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C24H27N3O2/c1-3-27(4-2)16-15-25-24(29)19-9-12-20(13-10-19)26-17-22-21-8-6-5-7-18(21)11-14-23(22)28/h5-14,17,28H,3-4,15-16H2,1-2H3,(H,25,29)/p+1/b26-17+
InChIKeyLWZXYSNLIMZLKP-YZSQISJMSA-O
XLogP2.95
TPSA66.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]benzamide
CID 3850135
1-[[4-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenoxy]phenyl]iminomethyl]naphthalen-2-ol
CID 4545567
1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]ethanone
CID 540985
4-hydroxy-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135400287
1-[(4-propoxyphenyl)iminomethyl]naphthalen-2-ol
CID 135713314
1-[(3,5-dimethylphenyl)iminomethyl]naphthalen-2-ol
CID 794532
4-acetamido-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 966653
4-(dimethylamino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 136737019
4-(dimethylamino)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135465938
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-phenylbenzamide
CID 135472549
3-hydroxy-4-[(2-hydroxynaphthalen-1-yl)methylideneamino]naphthalene-1-sulfonate;triethylazanium
CID 135465718
1-[(2,4,6-trimethylphenyl)iminomethyl]naphthalen-2-ol
CID 1284713

Frequently Asked Questions

What is the IUPAC name of diethyl-[2-[[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzoyl]amino]ethyl]azanium?
The IUPAC name of diethyl-[2-[[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzoyl]amino]ethyl]azanium (CID 135750576) is diethyl-[2-[[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzoyl]amino]ethyl]azanium.
What is the SMILES notation for diethyl-[2-[[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzoyl]amino]ethyl]azanium?
The canonical SMILES for diethyl-[2-[[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzoyl]amino]ethyl]azanium is CC[NH+](CC)CCNC(=O)c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1.
What is the InChIKey of diethyl-[2-[[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzoyl]amino]ethyl]azanium?
The InChIKey is LWZXYSNLIMZLKP-YZSQISJMSA-O. The full InChI is InChI=1S/C24H27N3O2/c1-3-27(4-2)16-15-25-24(29)19-9-12-20(13-10-19)26-17-22-21-8-6-5-7-18(21)11-14-23(22)28/h5-14,17,28H,3-4,15-16H2,1-2H3,(H,25,29)/p+1/b26-17+.
What are the key properties of diethyl-[2-[[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzoyl]amino]ethyl]azanium?
diethyl-[2-[[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzoyl]amino]ethyl]azanium has a molecular weight of 390.51 g/mol, XLogP of 2.95, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[2-[[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzoyl]amino]ethyl]azanium is sourced from PubChem (CID 135750576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).