3,4-dimethoxy-N-[4-(methylamino)-4-oxobutyl]-5-prop-2-enylbenzamide

C17H24N2O4 — CID 155945725

IUPAC3,4-dimethoxy-N-[4-(methylamino)-4-oxobutyl]-5-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)NCCCC(=O)NC)cc(OC)c1OC
InChIInChI=1S/C17H24N2O4/c1-5-7-12-10-13(11-14(22-3)16(12)23-4)17(21)19-9-6-8-15(20)18-2/h5,10-11H,1,6-9H2,2-4H3,(H,18,20)(H,19,21)
InChIKeyFFIGBOZKKUNUTL-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.69
Rot. Bonds9

About 3,4-dimethoxy-N-[4-(methylamino)-4-oxobutyl]-5-prop-2-enylbenzamide

3,4-dimethoxy-N-[4-(methylamino)-4-oxobutyl]-5-prop-2-enylbenzamide (PubChem CID 155945725) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[4-(methylamino)-4-oxobutyl]-5-prop-2-enylbenzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[4-(methylamino)-4-oxobutyl]-5-prop-2-enylbenzamide
PubChem CID155945725
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name3,4-dimethoxy-N-[4-(methylamino)-4-oxobutyl]-5-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)NCCCC(=O)NC)cc(OC)c1OC
InChIInChI=1S/C17H24N2O4/c1-5-7-12-10-13(11-14(22-3)16(12)23-4)17(21)19-9-6-8-15(20)18-2/h5,10-11H,1,6-9H2,2-4H3,(H,18,20)(H,19,21)
InChIKeyFFIGBOZKKUNUTL-UHFFFAOYSA-N
XLogP1.69
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethoxy-N-(3-phenylpropyl)-5-prop-2-enylbenzamide
CID 35806874
N-[2-(ethylamino)-2-oxoethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 18145820
3,4-dimethoxy-N-(2-methylpropyl)-5-prop-2-enylbenzamide
CID 18106056
N-[3-[4-(dimethylamino)phenyl]propyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 37270693
3,4-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]-5-prop-2-enylbenzamide
CID 31850269
N-(3-imidazol-1-ylpropyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 51304793
3,4-dimethoxy-N-(3-methylbutan-2-yl)-5-prop-2-enylbenzamide
CID 43035063
N-[2-(furan-2-yl)ethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 18111345
N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119763447
N-(4-amino-4-oxobutyl)-3,4,5-trimethoxybenzamide
CID 5235271
N-(4-hydroxycyclohexyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 86911892
3,4-dimethoxy-N-(5-methylhexan-2-yl)-5-prop-2-enylbenzamide
CID 55451236

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[4-(methylamino)-4-oxobutyl]-5-prop-2-enylbenzamide?
The IUPAC name of 3,4-dimethoxy-N-[4-(methylamino)-4-oxobutyl]-5-prop-2-enylbenzamide (CID 155945725) is 3,4-dimethoxy-N-[4-(methylamino)-4-oxobutyl]-5-prop-2-enylbenzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[4-(methylamino)-4-oxobutyl]-5-prop-2-enylbenzamide?
The canonical SMILES for 3,4-dimethoxy-N-[4-(methylamino)-4-oxobutyl]-5-prop-2-enylbenzamide is C=CCc1cc(C(=O)NCCCC(=O)NC)cc(OC)c1OC.
What is the InChIKey of 3,4-dimethoxy-N-[4-(methylamino)-4-oxobutyl]-5-prop-2-enylbenzamide?
The InChIKey is FFIGBOZKKUNUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-5-7-12-10-13(11-14(22-3)16(12)23-4)17(21)19-9-6-8-15(20)18-2/h5,10-11H,1,6-9H2,2-4H3,(H,18,20)(H,19,21).
What are the key properties of 3,4-dimethoxy-N-[4-(methylamino)-4-oxobutyl]-5-prop-2-enylbenzamide?
3,4-dimethoxy-N-[4-(methylamino)-4-oxobutyl]-5-prop-2-enylbenzamide has a molecular weight of 320.39 g/mol, XLogP of 1.69, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[4-(methylamino)-4-oxobutyl]-5-prop-2-enylbenzamide is sourced from PubChem (CID 155945725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).