2,2-dimethyl-N-[(E)-3-oxo-1-phenyl-3-(propan-2-ylamino)prop-1-en-2-yl]propanamide

C17H24N2O2 — CID 18859830

IUPAC2,2-dimethyl-N-[(E)-3-oxo-1-phenyl-3-(propan-2-ylamino)prop-1-en-2-yl]propanamide
SMILESCC(C)NC(=O)/C(=C\c1ccccc1)NC(=O)C(C)(C)C
InChIInChI=1S/C17H24N2O2/c1-12(2)18-15(20)14(19-16(21)17(3,4)5)11-13-9-7-6-8-10-13/h6-12H,1-5H3,(H,18,20)(H,19,21)/b14-11+
InChIKeyQUEQBSGWZOYCTF-SDNWHVSQSA-N
MW288.39 g/mol
LogP2.71
Rot. Bonds4

About 2,2-dimethyl-N-[(E)-3-oxo-1-phenyl-3-(propan-2-ylamino)prop-1-en-2-yl]propanamide

2,2-dimethyl-N-[(E)-3-oxo-1-phenyl-3-(propan-2-ylamino)prop-1-en-2-yl]propanamide (PubChem CID 18859830) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(E)-3-oxo-1-phenyl-3-(propan-2-ylamino)prop-1-en-2-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(E)-3-oxo-1-phenyl-3-(propan-2-ylamino)prop-1-en-2-yl]propanamide
PubChem CID18859830
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2,2-dimethyl-N-[(E)-3-oxo-1-phenyl-3-(propan-2-ylamino)prop-1-en-2-yl]propanamide
SMILESCC(C)NC(=O)/C(=C\c1ccccc1)NC(=O)C(C)(C)C
InChIInChI=1S/C17H24N2O2/c1-12(2)18-15(20)14(19-16(21)17(3,4)5)11-13-9-7-6-8-10-13/h6-12H,1-5H3,(H,18,20)(H,19,21)/b14-11+
InChIKeyQUEQBSGWZOYCTF-SDNWHVSQSA-N
XLogP2.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-[(E)-3-(naphthalen-1-ylamino)-3-oxo-1-phenylprop-1-en-2-yl]propanamide
CID 18859812
2,4-dichloro-N-[(Z)-3-oxo-1-phenyl-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide
CID 20834599
2-acetamido-N-butan-2-yl-3-phenylprop-2-enamide
CID 5008732
2,2-dimethyl-N-[(E)-3-oxo-1-phenyl-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]propanamide
CID 18859818
(E)-2,3-diphenyl-N-propan-2-ylprop-2-enamide
CID 718290
2,3-diphenyl-N-propan-2-ylprop-2-enamide
CID 718287
2-acetamido-2-methyl-N-[(Z)-3-[[2-methyl-1-[[(Z)-3-[[2-methyl-1-[[(Z)-3-(methylamino)-3-oxo-1-phenylprop-1-en-2-yl]amino]-1-oxopropan-2-yl]amino]-3-oxo-1-phenylprop-1-en-2-yl]amino]-1-oxopropan-2-yl]amino]-3-oxo-1-phenylprop-1-en-2-yl]propanamide
CID 102216305
(Z)-N-butan-2-yl-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide
CID 155297574
2,2-dimethyl-N-[(E)-3-(2-nitroanilino)-3-oxo-1-(4-propan-2-ylphenyl)prop-1-en-2-yl]propanamide
CID 18859919
(2R)-2-[[(Z)-2-acetamido-3-phenylprop-2-enoyl]amino]-4-methylpentanoic acid
CID 2297740
N-[(E)-1-(furan-2-yl)-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide
CID 5344061
2,2-dimethyl-N-[(E)-3-[(6-methyl-2-pyridinyl)amino]-3-oxo-1-(4-propan-2-ylphenyl)prop-1-en-2-yl]propanamide
CID 18859946

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(E)-3-oxo-1-phenyl-3-(propan-2-ylamino)prop-1-en-2-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(E)-3-oxo-1-phenyl-3-(propan-2-ylamino)prop-1-en-2-yl]propanamide (CID 18859830) is 2,2-dimethyl-N-[(E)-3-oxo-1-phenyl-3-(propan-2-ylamino)prop-1-en-2-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(E)-3-oxo-1-phenyl-3-(propan-2-ylamino)prop-1-en-2-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(E)-3-oxo-1-phenyl-3-(propan-2-ylamino)prop-1-en-2-yl]propanamide is CC(C)NC(=O)/C(=C\c1ccccc1)NC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[(E)-3-oxo-1-phenyl-3-(propan-2-ylamino)prop-1-en-2-yl]propanamide?
The InChIKey is QUEQBSGWZOYCTF-SDNWHVSQSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12(2)18-15(20)14(19-16(21)17(3,4)5)11-13-9-7-6-8-10-13/h6-12H,1-5H3,(H,18,20)(H,19,21)/b14-11+.
What are the key properties of 2,2-dimethyl-N-[(E)-3-oxo-1-phenyl-3-(propan-2-ylamino)prop-1-en-2-yl]propanamide?
2,2-dimethyl-N-[(E)-3-oxo-1-phenyl-3-(propan-2-ylamino)prop-1-en-2-yl]propanamide has a molecular weight of 288.39 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(E)-3-oxo-1-phenyl-3-(propan-2-ylamino)prop-1-en-2-yl]propanamide is sourced from PubChem (CID 18859830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).