N,N-dimethyl-3-[[2-[4-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide

C21H25N3O3 — CID 54840567

IUPACN,N-dimethyl-3-[[2-[4-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide
SMILESC=C(C)COc1ccc(NC(=O)CNc2cccc(C(=O)N(C)C)c2)cc1
InChIInChI=1S/C21H25N3O3/c1-15(2)14-27-19-10-8-17(9-11-19)23-20(25)13-22-18-7-5-6-16(12-18)21(26)24(3)4/h5-12,22H,1,13-14H2,2-4H3,(H,23,25)
InChIKeyCBSUNRCXQMXSNP-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.39
Rot. Bonds8

About N,N-dimethyl-3-[[2-[4-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide

N,N-dimethyl-3-[[2-[4-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide (PubChem CID 54840567) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N,N-dimethyl-3-[[2-[4-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[2-[4-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide
PubChem CID54840567
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN,N-dimethyl-3-[[2-[4-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide
SMILESC=C(C)COc1ccc(NC(=O)CNc2cccc(C(=O)N(C)C)c2)cc1
InChIInChI=1S/C21H25N3O3/c1-15(2)14-27-19-10-8-17(9-11-19)23-20(25)13-22-18-7-5-6-16(12-18)21(26)24(3)4/h5-12,22H,1,13-14H2,2-4H3,(H,23,25)
InChIKeyCBSUNRCXQMXSNP-UHFFFAOYSA-N
XLogP3.39
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-3-[[2-[4-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide 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

3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840849
N,N-dimethyl-3-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide
CID 54840721
2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54824411
N,N-dimethyl-3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54840880
3-[[2-[3-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54841190
N-methyl-4-[[2-[3-(2-methylprop-2-enoxy)anilino]acetyl]amino]-N-phenylbenzamide
CID 54825738
N-(4-butoxyphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825836
N-[3-[[2-[4-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]phenyl]hexanamide
CID 54841168
N-(3-methoxyphenyl)-2-[4-(2-methylprop-2-enoxy)anilino]acetamide
CID 54824578
3-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840596
N,N-dimethyl-3-[3-[[2-[4-(2-methylprop-2-enoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54824486
3-[[2-(4-acetylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 32627222

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[2-[4-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide?
The IUPAC name of N,N-dimethyl-3-[[2-[4-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide (CID 54840567) is N,N-dimethyl-3-[[2-[4-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[[2-[4-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for N,N-dimethyl-3-[[2-[4-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide is C=C(C)COc1ccc(NC(=O)CNc2cccc(C(=O)N(C)C)c2)cc1.
What is the InChIKey of N,N-dimethyl-3-[[2-[4-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide?
The InChIKey is CBSUNRCXQMXSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-15(2)14-27-19-10-8-17(9-11-19)23-20(25)13-22-18-7-5-6-16(12-18)21(26)24(3)4/h5-12,22H,1,13-14H2,2-4H3,(H,23,25).
What are the key properties of N,N-dimethyl-3-[[2-[4-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide?
N,N-dimethyl-3-[[2-[4-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide has a molecular weight of 367.45 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[2-[4-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54840567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).