methyl (E)-3,5-bis[4-(dimethylamino)phenyl]-2,2-dimethylpent-4-enoate

C24H32N2O2 — CID 56837508

IUPACmethyl (E)-3,5-bis[4-(dimethylamino)phenyl]-2,2-dimethylpent-4-enoate
SMILESCOC(=O)C(C)(C)C(/C=C/c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C24H32N2O2/c1-24(2,23(27)28-7)22(19-11-15-21(16-12-19)26(5)6)17-10-18-8-13-20(14-9-18)25(3)4/h8-17,22H,1-7H3/b17-10+
InChIKeyBNIXJKOBTIYGHP-LICLKQGHSA-N
MW380.53 g/mol
LogP4.81
Rot. Bonds7

About methyl (E)-3,5-bis[4-(dimethylamino)phenyl]-2,2-dimethylpent-4-enoate

methyl (E)-3,5-bis[4-(dimethylamino)phenyl]-2,2-dimethylpent-4-enoate (PubChem CID 56837508) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is methyl (E)-3,5-bis[4-(dimethylamino)phenyl]-2,2-dimethylpent-4-enoate.

Molecular Properties

Compound Namemethyl (E)-3,5-bis[4-(dimethylamino)phenyl]-2,2-dimethylpent-4-enoate
PubChem CID56837508
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Namemethyl (E)-3,5-bis[4-(dimethylamino)phenyl]-2,2-dimethylpent-4-enoate
SMILESCOC(=O)C(C)(C)C(/C=C/c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C24H32N2O2/c1-24(2,23(27)28-7)22(19-11-15-21(16-12-19)26(5)6)17-10-18-8-13-20(14-9-18)25(3)4/h8-17,22H,1-7H3/b17-10+
InChIKeyBNIXJKOBTIYGHP-LICLKQGHSA-N
XLogP4.81
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-3,3-dimethoxyprop-1-enyl]-N,N-dimethylaniline
CID 101464618
tris(dimethylamino)-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phosphanium
CID 10794043
4-[(E)-3-[4-(dimethylamino)phenyl]-3-(propan-2-ylamino)prop-1-enyl]-N,N-dimethylaniline
CID 56837713
4-[(E)-2-[4-[bis[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]methyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 99649280
dimethyl 2-[[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]methylidene]propanedioate
CID 102189234
methyl (E)-5-[tert-butyl(dimethyl)silyl]-2,2-dimethyl-3-phenylpent-4-enoate
CID 101122467
methyl 2-[4-(dimethylamino)phenyl]-2-(methylamino)propanoate
CID 54880686
4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
(E)-3-[4-(dimethylamino)phenyl]-N-hydroxyprop-2-enamide
CID 11956153
dimethyl 2-[4-(dimethylamino)phenyl]-2-hydroxypropanedioate
CID 2750049
3-[[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]amino]-2,2-dimethylpropanoic acid
CID 115427323
methyl 5-[4-(dimethylamino)phenyl]-2-methoxypenta-2,4-dienoate
CID 54003610

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3,5-bis[4-(dimethylamino)phenyl]-2,2-dimethylpent-4-enoate?
The IUPAC name of methyl (E)-3,5-bis[4-(dimethylamino)phenyl]-2,2-dimethylpent-4-enoate (CID 56837508) is methyl (E)-3,5-bis[4-(dimethylamino)phenyl]-2,2-dimethylpent-4-enoate.
What is the SMILES notation for methyl (E)-3,5-bis[4-(dimethylamino)phenyl]-2,2-dimethylpent-4-enoate?
The canonical SMILES for methyl (E)-3,5-bis[4-(dimethylamino)phenyl]-2,2-dimethylpent-4-enoate is COC(=O)C(C)(C)C(/C=C/c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.
What is the InChIKey of methyl (E)-3,5-bis[4-(dimethylamino)phenyl]-2,2-dimethylpent-4-enoate?
The InChIKey is BNIXJKOBTIYGHP-LICLKQGHSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-24(2,23(27)28-7)22(19-11-15-21(16-12-19)26(5)6)17-10-18-8-13-20(14-9-18)25(3)4/h8-17,22H,1-7H3/b17-10+.
What are the key properties of methyl (E)-3,5-bis[4-(dimethylamino)phenyl]-2,2-dimethylpent-4-enoate?
methyl (E)-3,5-bis[4-(dimethylamino)phenyl]-2,2-dimethylpent-4-enoate has a molecular weight of 380.53 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3,5-bis[4-(dimethylamino)phenyl]-2,2-dimethylpent-4-enoate is sourced from PubChem (CID 56837508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).