N,N-dimethyl-4-[(E)-3-oxo-3-(4-propan-2-yloxyanilino)prop-1-enyl]benzamide

C21H24N2O3 — CID 110300756

IUPACN,N-dimethyl-4-[(E)-3-oxo-3-(4-propan-2-yloxyanilino)prop-1-enyl]benzamide
SMILESCC(C)Oc1ccc(NC(=O)/C=C/c2ccc(C(=O)N(C)C)cc2)cc1
InChIInChI=1S/C21H24N2O3/c1-15(2)26-19-12-10-18(11-13-19)22-20(24)14-7-16-5-8-17(9-6-16)21(25)23(3)4/h5-15H,1-4H3,(H,22,24)/b14-7+
InChIKeyGGJBTPNDWRAJTO-VGOFMYFVSA-N
MW352.43 g/mol
LogP3.83
Rot. Bonds6

About N,N-dimethyl-4-[(E)-3-oxo-3-(4-propan-2-yloxyanilino)prop-1-enyl]benzamide

N,N-dimethyl-4-[(E)-3-oxo-3-(4-propan-2-yloxyanilino)prop-1-enyl]benzamide (PubChem CID 110300756) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N,N-dimethyl-4-[(E)-3-oxo-3-(4-propan-2-yloxyanilino)prop-1-enyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(E)-3-oxo-3-(4-propan-2-yloxyanilino)prop-1-enyl]benzamide
PubChem CID110300756
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN,N-dimethyl-4-[(E)-3-oxo-3-(4-propan-2-yloxyanilino)prop-1-enyl]benzamide
SMILESCC(C)Oc1ccc(NC(=O)/C=C/c2ccc(C(=O)N(C)C)cc2)cc1
InChIInChI=1S/C21H24N2O3/c1-15(2)26-19-12-10-18(11-13-19)22-20(24)14-7-16-5-8-17(9-6-16)21(25)23(3)4/h5-15H,1-4H3,(H,22,24)/b14-7+
InChIKeyGGJBTPNDWRAJTO-VGOFMYFVSA-N
XLogP3.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide
CID 7729326
(E)-3-(3-amino-4-fluorophenyl)-N-(4-propan-2-yloxyphenyl)prop-2-enamide
CID 39456290
4-[(E)-3-(3-bromo-4-methylanilino)-3-oxoprop-1-enyl]-N,N-dimethylbenzamide
CID 110300748
(E)-3-(3-aminophenyl)-N-(4-propan-2-yloxyphenyl)prop-2-enamide
CID 39406540
3-[[(E)-3-(4-acetamidophenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide
CID 32852031
N,N-dimethyl-4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]benzamide
CID 17231503
propan-2-yl 4-[3-(4-butoxyphenyl)prop-2-enoylamino]benzoate
CID 4623630
4-[(E)-3-[[2-[4-(dimethylamino)anilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N,N-dimethylbenzamide
CID 110615421
N-(4-propan-2-yloxyphenyl)prop-2-enamide
CID 43616366
N,N-dimethyl-4-[(E)-3-(2-methylanilino)-3-oxoprop-1-enyl]benzamide
CID 110300711
4-tert-butyl-N-[4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 17235009
methyl 4-[(E)-3-oxo-3-(4-propan-2-yloxyphenyl)prop-1-enyl]benzoate
CID 8829761

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(E)-3-oxo-3-(4-propan-2-yloxyanilino)prop-1-enyl]benzamide?
The IUPAC name of N,N-dimethyl-4-[(E)-3-oxo-3-(4-propan-2-yloxyanilino)prop-1-enyl]benzamide (CID 110300756) is N,N-dimethyl-4-[(E)-3-oxo-3-(4-propan-2-yloxyanilino)prop-1-enyl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[(E)-3-oxo-3-(4-propan-2-yloxyanilino)prop-1-enyl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[(E)-3-oxo-3-(4-propan-2-yloxyanilino)prop-1-enyl]benzamide is CC(C)Oc1ccc(NC(=O)/C=C/c2ccc(C(=O)N(C)C)cc2)cc1.
What is the InChIKey of N,N-dimethyl-4-[(E)-3-oxo-3-(4-propan-2-yloxyanilino)prop-1-enyl]benzamide?
The InChIKey is GGJBTPNDWRAJTO-VGOFMYFVSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15(2)26-19-12-10-18(11-13-19)22-20(24)14-7-16-5-8-17(9-6-16)21(25)23(3)4/h5-15H,1-4H3,(H,22,24)/b14-7+.
What are the key properties of N,N-dimethyl-4-[(E)-3-oxo-3-(4-propan-2-yloxyanilino)prop-1-enyl]benzamide?
N,N-dimethyl-4-[(E)-3-oxo-3-(4-propan-2-yloxyanilino)prop-1-enyl]benzamide has a molecular weight of 352.43 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(E)-3-oxo-3-(4-propan-2-yloxyanilino)prop-1-enyl]benzamide is sourced from PubChem (CID 110300756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).