N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[methyl-[2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]ethyl]amino]acetamide

C27H34N4O2 — CID 137129825

IUPACN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[methyl-[2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]ethyl]amino]acetamide
SMILESCC(C)c1ccc(CN(C)CCN(C)CC(=O)N/N=C/c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C27H34N4O2/c1-20(2)22-11-9-21(10-12-22)18-30(3)15-16-31(4)19-27(33)29-28-17-25-24-8-6-5-7-23(24)13-14-26(25)32/h5-14,17,20,32H,15-16,18-19H2,1-4H3,(H,29,33)/b28-17+
InChIKeyUZHLWBLCXCMZTP-OGLMXYFKSA-N
MW446.60 g/mol
LogP4.18
Rot. Bonds10

About N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[methyl-[2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]ethyl]amino]acetamide

N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[methyl-[2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]ethyl]amino]acetamide (PubChem CID 137129825) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[methyl-[2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]ethyl]amino]acetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[methyl-[2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]ethyl]amino]acetamide
PubChem CID137129825
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[methyl-[2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]ethyl]amino]acetamide
SMILESCC(C)c1ccc(CN(C)CCN(C)CC(=O)N/N=C/c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C27H34N4O2/c1-20(2)22-11-9-21(10-12-22)18-30(3)15-16-31(4)19-27(33)29-28-17-25-24-8-6-5-7-23(24)13-14-26(25)32/h5-14,17,20,32H,15-16,18-19H2,1-4H3,(H,29,33)/b28-17+
InChIKeyUZHLWBLCXCMZTP-OGLMXYFKSA-N
XLogP4.18
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 54.18
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-[(4-propan-2-ylphenyl)methyl]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
N-[(E)-(2-hydroxy-3-propylphenyl)methylideneamino]-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide
CID 136492709
2-(4-benzylpiperazin-1-yl)-N-[(E)-(2-hydroxy-3-propylphenyl)methylideneamino]acetamide
CID 136510243
US10196346, Example 8
CID 137129830
US10196346, Example 17
CID 137129829

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[methyl-[2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]ethyl]amino]acetamide?
The IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[methyl-[2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]ethyl]amino]acetamide (CID 137129825) is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[methyl-[2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]ethyl]amino]acetamide.
What is the SMILES notation for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[methyl-[2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]ethyl]amino]acetamide?
The canonical SMILES for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[methyl-[2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]ethyl]amino]acetamide is CC(C)c1ccc(CN(C)CCN(C)CC(=O)N/N=C/c2c(O)ccc3ccccc23)cc1.
What is the InChIKey of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[methyl-[2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]ethyl]amino]acetamide?
The InChIKey is UZHLWBLCXCMZTP-OGLMXYFKSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-20(2)22-11-9-21(10-12-22)18-30(3)15-16-31(4)19-27(33)29-28-17-25-24-8-6-5-7-23(24)13-14-26(25)32/h5-14,17,20,32H,15-16,18-19H2,1-4H3,(H,29,33)/b28-17+.
What are the key properties of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[methyl-[2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]ethyl]amino]acetamide?
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[methyl-[2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]ethyl]amino]acetamide has a molecular weight of 446.60 g/mol, XLogP of 4.18, 10 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-[(4-propan-2-ylphenyl)methyl]amino]ethyl]amino]acetamide is sourced from PubChem (CID 137129825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).