N,N-dimethyl-4-[(E)-3-[(2-methyl-1,3-benzoxazol-7-yl)amino]-3-oxoprop-1-enyl]benzamide

C20H19N3O3 — CID 110616981

IUPACN,N-dimethyl-4-[(E)-3-[(2-methyl-1,3-benzoxazol-7-yl)amino]-3-oxoprop-1-enyl]benzamide
SMILESCc1nc2cccc(NC(=O)/C=C/c3ccc(C(=O)N(C)C)cc3)c2o1
InChIInChI=1S/C20H19N3O3/c1-13-21-16-5-4-6-17(19(16)26-13)22-18(24)12-9-14-7-10-15(11-8-14)20(25)23(2)3/h4-12H,1-3H3,(H,22,24)/b12-9+
InChIKeyKSHVTZIYNFDIJV-FMIVXFBMSA-N
MW349.39 g/mol
LogP3.49
Rot. Bonds4

About N,N-dimethyl-4-[(E)-3-[(2-methyl-1,3-benzoxazol-7-yl)amino]-3-oxoprop-1-enyl]benzamide

N,N-dimethyl-4-[(E)-3-[(2-methyl-1,3-benzoxazol-7-yl)amino]-3-oxoprop-1-enyl]benzamide (PubChem CID 110616981) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N,N-dimethyl-4-[(E)-3-[(2-methyl-1,3-benzoxazol-7-yl)amino]-3-oxoprop-1-enyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(E)-3-[(2-methyl-1,3-benzoxazol-7-yl)amino]-3-oxoprop-1-enyl]benzamide
PubChem CID110616981
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN,N-dimethyl-4-[(E)-3-[(2-methyl-1,3-benzoxazol-7-yl)amino]-3-oxoprop-1-enyl]benzamide
SMILESCc1nc2cccc(NC(=O)/C=C/c3ccc(C(=O)N(C)C)cc3)c2o1
InChIInChI=1S/C20H19N3O3/c1-13-21-16-5-4-6-17(19(16)26-13)22-18(24)12-9-14-7-10-15(11-8-14)20(25)23(2)3/h4-12H,1-3H3,(H,22,24)/b12-9+
InChIKeyKSHVTZIYNFDIJV-FMIVXFBMSA-N
XLogP3.49
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-4-[(E)-3-[(2-methyl-1,3-benzoxazol-7-yl)amino]-3-oxoprop-1-enyl]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

N,N-dimethyl-4-[(E)-3-(2-methylanilino)-3-oxoprop-1-enyl]benzamide
CID 110300711
4-[(E)-3-(2-fluoroanilino)-3-oxoprop-1-enyl]-N,N-dimethylbenzamide
CID 110300734
(E)-N-(2-methyl-1,3-benzoxazol-7-yl)-3-phenylpent-2-enamide
CID 110415840
4-[(E)-3-(2-methoxy-5-methylanilino)-3-oxoprop-1-enyl]-N,N-dimethylbenzamide
CID 110300754
4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide
CID 7729326
N-(2-methyl-1,3-benzoxazol-7-yl)-4-(4-methylphenyl)-4-oxobutanamide
CID 110356710
4-[(E)-3-(3-bromo-4-methylanilino)-3-oxoprop-1-enyl]-N,N-dimethylbenzamide
CID 110300748
(2E)-2-benzylidene-N-(2-methyl-1,3-benzoxazol-7-yl)butanamide
CID 110616979
N,N-dimethyl-4-[(E)-3-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]benzamide
CID 110427027
(E)-N-(2-methylquinolin-4-yl)-3-phenylprop-2-enamide
CID 1124742
(E)-3-(4-chlorophenyl)-N-quinolin-5-ylprop-2-enamide
CID 952560
3-[[(E)-3-(4-acetamidophenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide
CID 32852031

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(E)-3-[(2-methyl-1,3-benzoxazol-7-yl)amino]-3-oxoprop-1-enyl]benzamide?
The IUPAC name of N,N-dimethyl-4-[(E)-3-[(2-methyl-1,3-benzoxazol-7-yl)amino]-3-oxoprop-1-enyl]benzamide (CID 110616981) is N,N-dimethyl-4-[(E)-3-[(2-methyl-1,3-benzoxazol-7-yl)amino]-3-oxoprop-1-enyl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[(E)-3-[(2-methyl-1,3-benzoxazol-7-yl)amino]-3-oxoprop-1-enyl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[(E)-3-[(2-methyl-1,3-benzoxazol-7-yl)amino]-3-oxoprop-1-enyl]benzamide is Cc1nc2cccc(NC(=O)/C=C/c3ccc(C(=O)N(C)C)cc3)c2o1.
What is the InChIKey of N,N-dimethyl-4-[(E)-3-[(2-methyl-1,3-benzoxazol-7-yl)amino]-3-oxoprop-1-enyl]benzamide?
The InChIKey is KSHVTZIYNFDIJV-FMIVXFBMSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-13-21-16-5-4-6-17(19(16)26-13)22-18(24)12-9-14-7-10-15(11-8-14)20(25)23(2)3/h4-12H,1-3H3,(H,22,24)/b12-9+.
What are the key properties of N,N-dimethyl-4-[(E)-3-[(2-methyl-1,3-benzoxazol-7-yl)amino]-3-oxoprop-1-enyl]benzamide?
N,N-dimethyl-4-[(E)-3-[(2-methyl-1,3-benzoxazol-7-yl)amino]-3-oxoprop-1-enyl]benzamide has a molecular weight of 349.39 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(E)-3-[(2-methyl-1,3-benzoxazol-7-yl)amino]-3-oxoprop-1-enyl]benzamide is sourced from PubChem (CID 110616981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).