(E)-4-(dimethylamino)-N-(2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)but-2-enamide

C19H24N4O — CID 146100955

IUPAC(E)-4-(dimethylamino)-N-(2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)but-2-enamide
SMILESCN(C)C/C=C/C(=O)NC1c2ccccc2CCC1n1ccnc1
InChIInChI=1S/C19H24N4O/c1-22(2)12-5-8-18(24)21-19-16-7-4-3-6-15(16)9-10-17(19)23-13-11-20-14-23/h3-8,11,13-14,17,19H,9-10,12H2,1-2H3,(H,21,24)/b8-5+
InChIKeyVMCHCZDRONCQKA-VMPITWQZSA-N
MW324.43 g/mol
LogP2.35
Rot. Bonds5

About (E)-4-(dimethylamino)-N-(2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)but-2-enamide

(E)-4-(dimethylamino)-N-(2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)but-2-enamide (PubChem CID 146100955) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is (E)-4-(dimethylamino)-N-(2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)but-2-enamide.

Molecular Properties

Compound Name(E)-4-(dimethylamino)-N-(2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)but-2-enamide
PubChem CID146100955
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name(E)-4-(dimethylamino)-N-(2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)but-2-enamide
SMILESCN(C)C/C=C/C(=O)NC1c2ccccc2CCC1n1ccnc1
InChIInChI=1S/C19H24N4O/c1-22(2)12-5-8-18(24)21-19-16-7-4-3-6-15(16)9-10-17(19)23-13-11-20-14-23/h3-8,11,13-14,17,19H,9-10,12H2,1-2H3,(H,21,24)/b8-5+
InChIKeyVMCHCZDRONCQKA-VMPITWQZSA-N
XLogP2.35
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R,2R)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(6-methyl-3-pyridinyl)acetamide
CID 97006459
1-(2,3-dimethylphenyl)-3-[(1R,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 96542591
N-[(1S,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-3,5-dimethylfuran-2-carboxamide
CID 97051236
N-[(1S,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-5-methyl-1,2,4-oxadiazole-3-carboxamide
CID 124577296
N-[(1S,2R)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-5-methyl-1,2,4-oxadiazole-3-carboxamide
CID 124577298
1-(2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1,3,4-thiadiazol-2-yl)urea
CID 71855313
(E)-N-(2,3-dihydro-1H-inden-1-yl)-3-(4-imidazol-1-yl-2-methoxyphenyl)prop-2-enamide
CID 59170828
(1R,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 28793311
1-[(1S,2R)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea
CID 96538310
(E)-N-(1-butanoyl-3,4-dihydro-2H-quinolin-4-yl)-4-(dimethylamino)but-2-enamide
CID 146100790
3-(5-bromo-2-imidazol-1-ylphenyl)-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide
CID 66960965
N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide
CID 162747128

Frequently Asked Questions

What is the IUPAC name of (E)-4-(dimethylamino)-N-(2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)but-2-enamide?
The IUPAC name of (E)-4-(dimethylamino)-N-(2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)but-2-enamide (CID 146100955) is (E)-4-(dimethylamino)-N-(2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)but-2-enamide.
What is the SMILES notation for (E)-4-(dimethylamino)-N-(2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)but-2-enamide?
The canonical SMILES for (E)-4-(dimethylamino)-N-(2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)but-2-enamide is CN(C)C/C=C/C(=O)NC1c2ccccc2CCC1n1ccnc1.
What is the InChIKey of (E)-4-(dimethylamino)-N-(2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)but-2-enamide?
The InChIKey is VMCHCZDRONCQKA-VMPITWQZSA-N. The full InChI is InChI=1S/C19H24N4O/c1-22(2)12-5-8-18(24)21-19-16-7-4-3-6-15(16)9-10-17(19)23-13-11-20-14-23/h3-8,11,13-14,17,19H,9-10,12H2,1-2H3,(H,21,24)/b8-5+.
What are the key properties of (E)-4-(dimethylamino)-N-(2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)but-2-enamide?
(E)-4-(dimethylamino)-N-(2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)but-2-enamide has a molecular weight of 324.43 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(dimethylamino)-N-(2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)but-2-enamide is sourced from PubChem (CID 146100955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).