N,N-dimethyl-4-[(E)-3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]prop-1-enyl]benzamide

C19H17N3O4 — CID 110411159

IUPACN,N-dimethyl-4-[(E)-3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]prop-1-enyl]benzamide
SMILESCN(C)C(=O)c1ccc(/C=C/C(=O)Nc2ccc3[nH]c(=O)oc3c2)cc1
InChIInChI=1S/C19H17N3O4/c1-22(2)18(24)13-6-3-12(4-7-13)5-10-17(23)20-14-8-9-15-16(11-14)26-19(25)21-15/h3-11H,1-2H3,(H,20,23)(H,21,25)/b10-5+
InChIKeyTYXVTGCNAVGJEZ-BJMVGYQFSA-N
MW351.36 g/mol
LogP2.47
Rot. Bonds4

About N,N-dimethyl-4-[(E)-3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]prop-1-enyl]benzamide

N,N-dimethyl-4-[(E)-3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]prop-1-enyl]benzamide (PubChem CID 110411159) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is N,N-dimethyl-4-[(E)-3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]prop-1-enyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(E)-3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]prop-1-enyl]benzamide
PubChem CID110411159
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC NameN,N-dimethyl-4-[(E)-3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]prop-1-enyl]benzamide
SMILESCN(C)C(=O)c1ccc(/C=C/C(=O)Nc2ccc3[nH]c(=O)oc3c2)cc1
InChIInChI=1S/C19H17N3O4/c1-22(2)18(24)13-6-3-12(4-7-13)5-10-17(23)20-14-8-9-15-16(11-14)26-19(25)21-15/h3-11H,1-2H3,(H,20,23)(H,21,25)/b10-5+
InChIKeyTYXVTGCNAVGJEZ-BJMVGYQFSA-N
XLogP2.47
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-4-[(E)-3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]prop-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

4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide
CID 7729326
4-[(E)-3-(3-bromo-4-methylanilino)-3-oxoprop-1-enyl]-N,N-dimethylbenzamide
CID 110300748
N-cyclopropyl-4-[(E)-3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]prop-1-enyl]benzamide
CID 134020077
3-[[(E)-3-(4-acetamidophenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide
CID 32852031
N,N-dimethyl-4-[(E)-3-oxo-3-(4-propan-2-yloxyanilino)prop-1-enyl]benzamide
CID 110300756
(E)-3-[5-(4-fluorophenyl)-1-methylpyrazol-4-yl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)prop-2-enamide
CID 69207940
N,N-dimethyl-4-[(E)-3-(2-methylanilino)-3-oxoprop-1-enyl]benzamide
CID 110300711
2-[(dimethylcarbamoylamino)methyl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pyridine-4-carboxamide
CID 112522991
4-(methylamino)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
CID 110838149
4-[(E)-3-(2-fluoroanilino)-3-oxoprop-1-enyl]-N,N-dimethylbenzamide
CID 110300734
N,N-dimethyl-4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]benzamide
CID 17231503
3-chloro-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
CID 11543243

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(E)-3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]prop-1-enyl]benzamide?
The IUPAC name of N,N-dimethyl-4-[(E)-3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]prop-1-enyl]benzamide (CID 110411159) is N,N-dimethyl-4-[(E)-3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]prop-1-enyl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[(E)-3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]prop-1-enyl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[(E)-3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]prop-1-enyl]benzamide is CN(C)C(=O)c1ccc(/C=C/C(=O)Nc2ccc3[nH]c(=O)oc3c2)cc1.
What is the InChIKey of N,N-dimethyl-4-[(E)-3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]prop-1-enyl]benzamide?
The InChIKey is TYXVTGCNAVGJEZ-BJMVGYQFSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-22(2)18(24)13-6-3-12(4-7-13)5-10-17(23)20-14-8-9-15-16(11-14)26-19(25)21-15/h3-11H,1-2H3,(H,20,23)(H,21,25)/b10-5+.
What are the key properties of N,N-dimethyl-4-[(E)-3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]prop-1-enyl]benzamide?
N,N-dimethyl-4-[(E)-3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]prop-1-enyl]benzamide has a molecular weight of 351.36 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(E)-3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]prop-1-enyl]benzamide is sourced from PubChem (CID 110411159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).