N-[4-[(E)-(5-methoxy-3-oxo-1H-inden-2-ylidene)methyl]phenyl]-2-[methyl(propyl)amino]acetamide

C23H26N2O3 — CID 166642387

IUPACN-[4-[(E)-(5-methoxy-3-oxo-1H-inden-2-ylidene)methyl]phenyl]-2-[methyl(propyl)amino]acetamide
SMILESCCCN(C)CC(=O)Nc1ccc(/C=C2\Cc3ccc(OC)cc3C2=O)cc1
InChIInChI=1S/C23H26N2O3/c1-4-11-25(2)15-22(26)24-19-8-5-16(6-9-19)12-18-13-17-7-10-20(28-3)14-21(17)23(18)27/h5-10,12,14H,4,11,13,15H2,1-3H3,(H,24,26)/b18-12+
InChIKeyUEOXDNCAAPDWIS-LDADJPATSA-N
MW378.47 g/mol
LogP3.80
Rot. Bonds7

About N-[4-[(E)-(5-methoxy-3-oxo-1H-inden-2-ylidene)methyl]phenyl]-2-[methyl(propyl)amino]acetamide

N-[4-[(E)-(5-methoxy-3-oxo-1H-inden-2-ylidene)methyl]phenyl]-2-[methyl(propyl)amino]acetamide (PubChem CID 166642387) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[4-[(E)-(5-methoxy-3-oxo-1H-inden-2-ylidene)methyl]phenyl]-2-[methyl(propyl)amino]acetamide.

Molecular Properties

Compound NameN-[4-[(E)-(5-methoxy-3-oxo-1H-inden-2-ylidene)methyl]phenyl]-2-[methyl(propyl)amino]acetamide
PubChem CID166642387
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN-[4-[(E)-(5-methoxy-3-oxo-1H-inden-2-ylidene)methyl]phenyl]-2-[methyl(propyl)amino]acetamide
SMILESCCCN(C)CC(=O)Nc1ccc(/C=C2\Cc3ccc(OC)cc3C2=O)cc1
InChIInChI=1S/C23H26N2O3/c1-4-11-25(2)15-22(26)24-19-8-5-16(6-9-19)12-18-13-17-7-10-20(28-3)14-21(17)23(18)27/h5-10,12,14H,4,11,13,15H2,1-3H3,(H,24,26)/b18-12+
InChIKeyUEOXDNCAAPDWIS-LDADJPATSA-N
XLogP3.80
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[4-[(E)-(5-methoxy-3-oxo-1H-inden-2-ylidene)methyl]phenyl]-2-[methyl(propyl)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

N-(4-methoxyphenyl)-2-[methyl(propyl)amino]acetamide;propane
CID 145342078
N-(2,4-dimethoxyphenyl)-2-[methyl(propyl)amino]acetamide
CID 47085287
2-(dipropylamino)-N-(4-methoxyphenyl)acetamide
CID 54817180
2-[(3,5-dimethoxyphenyl)methylidene]-5-methoxy-3H-inden-1-one
CID 54264295
3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide
CID 38300605
(2Z)-2-[(4-chlorophenyl)methylidene]-7-methoxy-3,4-dihydronaphthalen-1-one
CID 6048945
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9053961
[3-oxo-2-(pyridin-4-ylmethylidene)-1H-inden-5-yl] N-methylcarbamate
CID 70155051
N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 2656678
N-(4-methoxyphenyl)-2-[methyl(2-methylpropyl)amino]acetamide
CID 167278425
N-(4-methoxyphenyl)-3-[methylsulfonyl(propyl)amino]propanamide
CID 113135977
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9222934

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-(5-methoxy-3-oxo-1H-inden-2-ylidene)methyl]phenyl]-2-[methyl(propyl)amino]acetamide?
The IUPAC name of N-[4-[(E)-(5-methoxy-3-oxo-1H-inden-2-ylidene)methyl]phenyl]-2-[methyl(propyl)amino]acetamide (CID 166642387) is N-[4-[(E)-(5-methoxy-3-oxo-1H-inden-2-ylidene)methyl]phenyl]-2-[methyl(propyl)amino]acetamide.
What is the SMILES notation for N-[4-[(E)-(5-methoxy-3-oxo-1H-inden-2-ylidene)methyl]phenyl]-2-[methyl(propyl)amino]acetamide?
The canonical SMILES for N-[4-[(E)-(5-methoxy-3-oxo-1H-inden-2-ylidene)methyl]phenyl]-2-[methyl(propyl)amino]acetamide is CCCN(C)CC(=O)Nc1ccc(/C=C2\Cc3ccc(OC)cc3C2=O)cc1.
What is the InChIKey of N-[4-[(E)-(5-methoxy-3-oxo-1H-inden-2-ylidene)methyl]phenyl]-2-[methyl(propyl)amino]acetamide?
The InChIKey is UEOXDNCAAPDWIS-LDADJPATSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-4-11-25(2)15-22(26)24-19-8-5-16(6-9-19)12-18-13-17-7-10-20(28-3)14-21(17)23(18)27/h5-10,12,14H,4,11,13,15H2,1-3H3,(H,24,26)/b18-12+.
What are the key properties of N-[4-[(E)-(5-methoxy-3-oxo-1H-inden-2-ylidene)methyl]phenyl]-2-[methyl(propyl)amino]acetamide?
N-[4-[(E)-(5-methoxy-3-oxo-1H-inden-2-ylidene)methyl]phenyl]-2-[methyl(propyl)amino]acetamide has a molecular weight of 378.47 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-(5-methoxy-3-oxo-1H-inden-2-ylidene)methyl]phenyl]-2-[methyl(propyl)amino]acetamide is sourced from PubChem (CID 166642387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).