(E)-4-(dimethylamino)-N-(3-hydroxy-2-methyl-2-phenylpropyl)but-2-enamide

C16H24N2O2 — CID 146097720

IUPAC(E)-4-(dimethylamino)-N-(3-hydroxy-2-methyl-2-phenylpropyl)but-2-enamide
SMILESCN(C)C/C=C/C(=O)NCC(C)(CO)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-16(13-19,14-8-5-4-6-9-14)12-17-15(20)10-7-11-18(2)3/h4-10,19H,11-13H2,1-3H3,(H,17,20)/b10-7+
InChIKeySZABJKPYOZXRIE-JXMROGBWSA-N
MW276.38 g/mol
LogP1.17
Rot. Bonds7

About (E)-4-(dimethylamino)-N-(3-hydroxy-2-methyl-2-phenylpropyl)but-2-enamide

(E)-4-(dimethylamino)-N-(3-hydroxy-2-methyl-2-phenylpropyl)but-2-enamide (PubChem CID 146097720) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (E)-4-(dimethylamino)-N-(3-hydroxy-2-methyl-2-phenylpropyl)but-2-enamide.

Molecular Properties

Compound Name(E)-4-(dimethylamino)-N-(3-hydroxy-2-methyl-2-phenylpropyl)but-2-enamide
PubChem CID146097720
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(E)-4-(dimethylamino)-N-(3-hydroxy-2-methyl-2-phenylpropyl)but-2-enamide
SMILESCN(C)C/C=C/C(=O)NCC(C)(CO)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-16(13-19,14-8-5-4-6-9-14)12-17-15(20)10-7-11-18(2)3/h4-10,19H,11-13H2,1-3H3,(H,17,20)/b10-7+
InChIKeySZABJKPYOZXRIE-JXMROGBWSA-N
XLogP1.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(dimethylamino)-N-phenylbut-2-enamide
CID 72514761
(E)-4-(dimethylamino)-N-(2-hydroxy-2-thiophen-2-ylpropyl)but-2-enamide
CID 146101049
(E)-4-(dimethylamino)-N-(2,2-dimethylpentyl)but-2-enamide
CID 129167692
tert-butyl 6-[[[(E)-4-(dimethylamino)but-2-enoyl]amino]methyl]-6-phenyl-2-azaspiro[3.3]heptane-2-carboxylate
CID 146098049
(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
N-[4-(diethylamino)-2-methyl-2,4-diphenylbutyl]prop-2-enamide
CID 141403014
(E)-N-(1-benzylcyclopropyl)-4-(dimethylamino)but-2-enamide
CID 146097658
(E)-N-[bis(2-methylphenyl)methyl]-4-(dimethylamino)but-2-enamide
CID 146097655
(E)-4-(dimethylamino)-N-[(1-methyl-3,4-dihydroisochromen-1-yl)methyl]but-2-enamide
CID 146076730
(E)-3-(2-chlorophenyl)-N-[3-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-2,2-dimethylpropyl]prop-2-enamide
CID 6258276
5-(dimethylamino)-1,1-diphenylpent-3-en-1-ol;hydrochloride
CID 171145453

Frequently Asked Questions

What is the IUPAC name of (E)-4-(dimethylamino)-N-(3-hydroxy-2-methyl-2-phenylpropyl)but-2-enamide?
The IUPAC name of (E)-4-(dimethylamino)-N-(3-hydroxy-2-methyl-2-phenylpropyl)but-2-enamide (CID 146097720) is (E)-4-(dimethylamino)-N-(3-hydroxy-2-methyl-2-phenylpropyl)but-2-enamide.
What is the SMILES notation for (E)-4-(dimethylamino)-N-(3-hydroxy-2-methyl-2-phenylpropyl)but-2-enamide?
The canonical SMILES for (E)-4-(dimethylamino)-N-(3-hydroxy-2-methyl-2-phenylpropyl)but-2-enamide is CN(C)C/C=C/C(=O)NCC(C)(CO)c1ccccc1.
What is the InChIKey of (E)-4-(dimethylamino)-N-(3-hydroxy-2-methyl-2-phenylpropyl)but-2-enamide?
The InChIKey is SZABJKPYOZXRIE-JXMROGBWSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(13-19,14-8-5-4-6-9-14)12-17-15(20)10-7-11-18(2)3/h4-10,19H,11-13H2,1-3H3,(H,17,20)/b10-7+.
What are the key properties of (E)-4-(dimethylamino)-N-(3-hydroxy-2-methyl-2-phenylpropyl)but-2-enamide?
(E)-4-(dimethylamino)-N-(3-hydroxy-2-methyl-2-phenylpropyl)but-2-enamide has a molecular weight of 276.38 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(dimethylamino)-N-(3-hydroxy-2-methyl-2-phenylpropyl)but-2-enamide is sourced from PubChem (CID 146097720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).