3,3-bis(2,5-dimethylphenyl)-N,N-dimethylprop-2-enamide

C21H25NO — CID 102204543

IUPAC3,3-bis(2,5-dimethylphenyl)-N,N-dimethylprop-2-enamide
SMILESCc1ccc(C)c(C(=CC(=O)N(C)C)c2cc(C)ccc2C)c1
InChIInChI=1S/C21H25NO/c1-14-7-9-16(3)18(11-14)20(13-21(23)22(5)6)19-12-15(2)8-10-17(19)4/h7-13H,1-6H3
InChIKeyQUAGQYJUPRBOIH-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.44
Rot. Bonds3

About 3,3-bis(2,5-dimethylphenyl)-N,N-dimethylprop-2-enamide

3,3-bis(2,5-dimethylphenyl)-N,N-dimethylprop-2-enamide (PubChem CID 102204543) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 3,3-bis(2,5-dimethylphenyl)-N,N-dimethylprop-2-enamide.

Molecular Properties

Compound Name3,3-bis(2,5-dimethylphenyl)-N,N-dimethylprop-2-enamide
PubChem CID102204543
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name3,3-bis(2,5-dimethylphenyl)-N,N-dimethylprop-2-enamide
SMILESCc1ccc(C)c(C(=CC(=O)N(C)C)c2cc(C)ccc2C)c1
InChIInChI=1S/C21H25NO/c1-14-7-9-16(3)18(11-14)20(13-21(23)22(5)6)19-12-15(2)8-10-17(19)4/h7-13H,1-6H3
InChIKeyQUAGQYJUPRBOIH-UHFFFAOYSA-N
XLogP4.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(dimethylamino)-1-(2,5-dimethylphenyl)prop-2-en-1-one
CID 57362091
1,4-dimethyl-2-[(1Z)-3-methyl-1-phenylbuta-1,3-dienyl]benzene
CID 142303398
2-(dimethylamino)-1-(2,5-dimethylphenyl)propan-1-one
CID 43794767
aluminum tris(2,5-dimethylbenzoate)
CID 22604903
[2-(dimethylamino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 17422299
N-[2-(dimethylamino)-2-oxoethyl]-2,5-dimethylbenzamide
CID 9480533
1,4-dimethyl-2-[1-(2-methylphenyl)prop-1-enyl]benzene
CID 90922065
(E)-3-(2,4-dimethylphenyl)-N-methoxy-N-methyl-3-phenylprop-2-enamide
CID 102455736
2-chloro-1-(2,5-dimethylphenyl)ethanone
CID 2363693
2-[(2,5-dimethylbenzoyl)-methylamino]acetic acid
CID 18071913
N,N-diethyl-2,5-dimethylbenzamide
CID 15621070
(2E,4E)-N,N-dimethyl-5-(4-methylphenyl)penta-2,4-dienamide
CID 139551714

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(2,5-dimethylphenyl)-N,N-dimethylprop-2-enamide?
The IUPAC name of 3,3-bis(2,5-dimethylphenyl)-N,N-dimethylprop-2-enamide (CID 102204543) is 3,3-bis(2,5-dimethylphenyl)-N,N-dimethylprop-2-enamide.
What is the SMILES notation for 3,3-bis(2,5-dimethylphenyl)-N,N-dimethylprop-2-enamide?
The canonical SMILES for 3,3-bis(2,5-dimethylphenyl)-N,N-dimethylprop-2-enamide is Cc1ccc(C)c(C(=CC(=O)N(C)C)c2cc(C)ccc2C)c1.
What is the InChIKey of 3,3-bis(2,5-dimethylphenyl)-N,N-dimethylprop-2-enamide?
The InChIKey is QUAGQYJUPRBOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-14-7-9-16(3)18(11-14)20(13-21(23)22(5)6)19-12-15(2)8-10-17(19)4/h7-13H,1-6H3.
What are the key properties of 3,3-bis(2,5-dimethylphenyl)-N,N-dimethylprop-2-enamide?
3,3-bis(2,5-dimethylphenyl)-N,N-dimethylprop-2-enamide has a molecular weight of 307.44 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(2,5-dimethylphenyl)-N,N-dimethylprop-2-enamide is sourced from PubChem (CID 102204543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).