N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[methyl-[2-[methyl(naphthalen-1-ylmethyl)amino]ethyl]amino]acetamide

C28H30N4O2 — CID 137136942

IUPACN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[methyl-[2-[methyl(naphthalen-1-ylmethyl)amino]ethyl]amino]acetamide
SMILESCN(CCN(C)Cc1cccc2ccccc12)CC(=O)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C28H30N4O2/c1-31(19-23-11-7-10-21-8-3-5-12-24(21)23)16-17-32(2)20-28(34)30-29-18-26-25-13-6-4-9-22(25)14-15-27(26)33/h3-15,18,33H,16-17,19-20H2,1-2H3,(H,30,34)/b29-18+
InChIKeyAQRWSOMVHJXRPI-RDRPBHBLSA-N
MW454.57 g/mol
LogP4.21
Rot. Bonds9

About N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[methyl-[2-[methyl(naphthalen-1-ylmethyl)amino]ethyl]amino]acetamide

N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[methyl-[2-[methyl(naphthalen-1-ylmethyl)amino]ethyl]amino]acetamide (PubChem CID 137136942) has the molecular formula C28H30N4O2 and a molecular weight of 454.57 g/mol. Its IUPAC name is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[methyl-[2-[methyl(naphthalen-1-ylmethyl)amino]ethyl]amino]acetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[methyl-[2-[methyl(naphthalen-1-ylmethyl)amino]ethyl]amino]acetamide
PubChem CID137136942
Molecular FormulaC28H30N4O2
Molecular Weight454.57 g/mol
Exact Mass454.24
IUPAC NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[methyl-[2-[methyl(naphthalen-1-ylmethyl)amino]ethyl]amino]acetamide
SMILESCN(CCN(C)Cc1cccc2ccccc12)CC(=O)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C28H30N4O2/c1-31(19-23-11-7-10-21-8-3-5-12-24(21)23)16-17-32(2)20-28(34)30-29-18-26-25-13-6-4-9-22(25)14-15-27(26)33/h3-15,18,33H,16-17,19-20H2,1-2H3,(H,30,34)/b29-18+
InChIKeyAQRWSOMVHJXRPI-RDRPBHBLSA-N
XLogP4.21
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[methyl-[2-[methyl(naphthalen-1-ylmethyl)amino]ethyl]amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pac-1
CID 135421197
N'-(3-allyl-2-hydroxybenzylidene)-2-(4-benzyl-1-piperazinyl)acetohydrazide
CID 135457726
Pyrrolidin-1-yl-acetic acid (2-hydroxy-naphthalen-1-ylmethylene)-hydrazide
CID 135411944
2-anilino-N'-[(1E)-(2-hydroxy-1-naphthyl)methylene]acetohydrazide
CID 135699116
2-[(4-Fluorophenyl)amino]-N'-[(E)-(2-hydroxynaphthalen-1-YL)methylidene]acetohydrazide
CID 135745098
N'-[(6-oxo-5-prop-2-enyl-1-cyclohexa-2,4-dienylidene)methyl]-2-[4-(phenylmethyl)-1-piperazinyl]acetohydrazide
CID 1185541
2-(4-benzylpiperazin-1-yl)-N-[(E)-[2-hydroxy-3,5-bis(prop-2-enyl)phenyl]methylideneamino]acetamide
CID 135875939
N'-[(2-hydroxy-1-naphthyl)methylene]-2-oxo-2-(1-pyrrolidinyl)acetohydrazide
CID 135438745
(3,4-Dihydro-2H-quinolin-1-yl)-acetic acid [1-(2-hydroxy-naphthalen-1-yl)-meth-(E)-ylidene]-hydrazide
CID 135484398
Morpholin-4-yl-acetic acid (2-hydroxy-naphthalen-1-ylmethylene)-hydrazide
CID 135536243
2-(4-benzylpiperazin-1-yl)-N-[(E)-(2-hydroxy-3-propylphenyl)methylideneamino]acetamide
CID 136510243
2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-N-[(E)-(2-hydroxy-3-propylphenyl)methylideneamino]acetamide
CID 136934930

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[methyl-[2-[methyl(naphthalen-1-ylmethyl)amino]ethyl]amino]acetamide?
The IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[methyl-[2-[methyl(naphthalen-1-ylmethyl)amino]ethyl]amino]acetamide (CID 137136942) is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[methyl-[2-[methyl(naphthalen-1-ylmethyl)amino]ethyl]amino]acetamide.
What is the SMILES notation for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[methyl-[2-[methyl(naphthalen-1-ylmethyl)amino]ethyl]amino]acetamide?
The canonical SMILES for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[methyl-[2-[methyl(naphthalen-1-ylmethyl)amino]ethyl]amino]acetamide is CN(CCN(C)Cc1cccc2ccccc12)CC(=O)N/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[methyl-[2-[methyl(naphthalen-1-ylmethyl)amino]ethyl]amino]acetamide?
The InChIKey is AQRWSOMVHJXRPI-RDRPBHBLSA-N. The full InChI is InChI=1S/C28H30N4O2/c1-31(19-23-11-7-10-21-8-3-5-12-24(21)23)16-17-32(2)20-28(34)30-29-18-26-25-13-6-4-9-22(25)14-15-27(26)33/h3-15,18,33H,16-17,19-20H2,1-2H3,(H,30,34)/b29-18+.
What are the key properties of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[methyl-[2-[methyl(naphthalen-1-ylmethyl)amino]ethyl]amino]acetamide?
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[methyl-[2-[methyl(naphthalen-1-ylmethyl)amino]ethyl]amino]acetamide has a molecular weight of 454.57 g/mol, XLogP of 4.21, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[methyl-[2-[methyl(naphthalen-1-ylmethyl)amino]ethyl]amino]acetamide is sourced from PubChem (CID 137136942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).