4-(dimethylamino)-N-phenylbut-2-enamide

C12H16N2O — CID 72514761

IUPAC4-(dimethylamino)-N-phenylbut-2-enamide
SMILESCN(C)CC=CC(=O)Nc1ccccc1
InChIInChI=1S/C12H16N2O/c1-14(2)10-6-9-12(15)13-11-7-4-3-5-8-11/h3-9H,10H2,1-2H3,(H,13,15)
InChIKeySPTPHZJTPAAOOL-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.74
Rot. Bonds4

About 4-(dimethylamino)-N-phenylbut-2-enamide

4-(dimethylamino)-N-phenylbut-2-enamide (PubChem CID 72514761) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 4-(dimethylamino)-N-phenylbut-2-enamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-phenylbut-2-enamide
PubChem CID72514761
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name4-(dimethylamino)-N-phenylbut-2-enamide
SMILESCN(C)CC=CC(=O)Nc1ccccc1
InChIInChI=1S/C12H16N2O/c1-14(2)10-6-9-12(15)13-11-7-4-3-5-8-11/h3-9H,10H2,1-2H3,(H,13,15)
InChIKeySPTPHZJTPAAOOL-UHFFFAOYSA-N
XLogP1.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-(dimethylamino)-N-(3-methylphenyl)but-2-enamide
CID 118034064
(E)-N-[(2S)-1-anilino-1-oxopropan-2-yl]-4-(dimethylamino)but-2-enamide
CID 134827866
(E)-4-(dimethylamino)-N-(4-ethenylphenyl)but-2-enamide
CID 144832726
4-[4-(dimethylamino)but-2-enoylamino]benzoyl chloride
CID 123561810
(E)-N-(4-anilinoquinazolin-6-yl)-4-(dimethylamino)but-2-enamide
CID 69317465
(E)-4-(dimethylamino)-N-(6-methyl-3-pyridinyl)but-2-enamide
CID 153303846
N-[4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]phenyl]-5-methylthiophene-2-carboxamide
CID 176557413
(Z)-N-phenylbut-2-enamide
CID 59909226
N-phenyldec-2-enamide
CID 72974313
(E)-4-(dimethylamino)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)but-2-enamide
CID 172614120
5-[4-(dimethylamino)but-2-enoylamino]pyridine-3-carboxylic acid
CID 138491249
5-[4-(dimethylamino)but-2-enoylamino]pyridin-1-ium-2-carboxamide
CID 163886350

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-phenylbut-2-enamide?
The IUPAC name of 4-(dimethylamino)-N-phenylbut-2-enamide (CID 72514761) is 4-(dimethylamino)-N-phenylbut-2-enamide.
What is the SMILES notation for 4-(dimethylamino)-N-phenylbut-2-enamide?
The canonical SMILES for 4-(dimethylamino)-N-phenylbut-2-enamide is CN(C)CC=CC(=O)Nc1ccccc1.
What is the InChIKey of 4-(dimethylamino)-N-phenylbut-2-enamide?
The InChIKey is SPTPHZJTPAAOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-14(2)10-6-9-12(15)13-11-7-4-3-5-8-11/h3-9H,10H2,1-2H3,(H,13,15).
What are the key properties of 4-(dimethylamino)-N-phenylbut-2-enamide?
4-(dimethylamino)-N-phenylbut-2-enamide has a molecular weight of 204.27 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-phenylbut-2-enamide is sourced from PubChem (CID 72514761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).