[2-[4-(dimethylamino)benzoyl]-5-methylphenyl] prop-2-enoate

C19H19NO3 — CID 101375909

IUPAC[2-[4-(dimethylamino)benzoyl]-5-methylphenyl] prop-2-enoate
SMILESC=CC(=O)Oc1cc(C)ccc1C(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C19H19NO3/c1-5-18(21)23-17-12-13(2)6-11-16(17)19(22)14-7-9-15(10-8-14)20(3)4/h5-12H,1H2,2-4H3
InChIKeyDGUTVDACCHMXHF-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.38
Rot. Bonds5

About [2-[4-(dimethylamino)benzoyl]-5-methylphenyl] prop-2-enoate

[2-[4-(dimethylamino)benzoyl]-5-methylphenyl] prop-2-enoate (PubChem CID 101375909) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is [2-[4-(dimethylamino)benzoyl]-5-methylphenyl] prop-2-enoate.

Molecular Properties

Compound Name[2-[4-(dimethylamino)benzoyl]-5-methylphenyl] prop-2-enoate
PubChem CID101375909
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name[2-[4-(dimethylamino)benzoyl]-5-methylphenyl] prop-2-enoate
SMILESC=CC(=O)Oc1cc(C)ccc1C(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C19H19NO3/c1-5-18(21)23-17-12-13(2)6-11-16(17)19(22)14-7-9-15(10-8-14)20(3)4/h5-12H,1H2,2-4H3
InChIKeyDGUTVDACCHMXHF-UHFFFAOYSA-N
XLogP3.38
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-benzoyl-4-methylphenyl) prop-2-enoate
CID 89073800
prop-2-enyl 4-methyl-2-prop-2-enoyloxybenzoate
CID 174585078
phenyl 4-methyl-2-prop-2-enoyloxybenzoate
CID 89405536
(2-benzoyl-5-hydroxyphenyl) prop-2-enoate
CID 139962678
(2,4-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanone
CID 3243415
2-methyl-4-prop-2-enoyloxybenzoic acid
CID 151032706
1-(2-benzoyl-5-methylphenyl)prop-2-en-1-one
CID 141351016
[6-[[6-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-2-yl]-(6-prop-2-enoyloxynaphthalen-2-yl)amino]naphthalen-2-yl] prop-2-enoate
CID 58520192
[4-(dimethylamino)phenyl]-(2-propan-2-yloxyphenyl)methanone
CID 105119950
4-methyl-2-prop-2-enoyloxybenzenesulfinate
CID 174505992
ethene;(3-methylphenyl) prop-2-enoate
CID 161018707
[4-[2,5-di(prop-2-enoyloxy)benzoyl]phenyl]methyl prop-2-enoate
CID 118069099

Frequently Asked Questions

What is the IUPAC name of [2-[4-(dimethylamino)benzoyl]-5-methylphenyl] prop-2-enoate?
The IUPAC name of [2-[4-(dimethylamino)benzoyl]-5-methylphenyl] prop-2-enoate (CID 101375909) is [2-[4-(dimethylamino)benzoyl]-5-methylphenyl] prop-2-enoate.
What is the SMILES notation for [2-[4-(dimethylamino)benzoyl]-5-methylphenyl] prop-2-enoate?
The canonical SMILES for [2-[4-(dimethylamino)benzoyl]-5-methylphenyl] prop-2-enoate is C=CC(=O)Oc1cc(C)ccc1C(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of [2-[4-(dimethylamino)benzoyl]-5-methylphenyl] prop-2-enoate?
The InChIKey is DGUTVDACCHMXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-5-18(21)23-17-12-13(2)6-11-16(17)19(22)14-7-9-15(10-8-14)20(3)4/h5-12H,1H2,2-4H3.
What are the key properties of [2-[4-(dimethylamino)benzoyl]-5-methylphenyl] prop-2-enoate?
[2-[4-(dimethylamino)benzoyl]-5-methylphenyl] prop-2-enoate has a molecular weight of 309.37 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(dimethylamino)benzoyl]-5-methylphenyl] prop-2-enoate is sourced from PubChem (CID 101375909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).