3,4-dimethoxy-5-prop-2-enyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide

C24H26N4O4 — CID 43068745

IUPAC3,4-dimethoxy-5-prop-2-enyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
SMILESC=CCc1cc(C(=O)Nc2cccc(NC(=O)C(C)n3cccn3)c2)cc(OC)c1OC
InChIInChI=1S/C24H26N4O4/c1-5-8-17-13-18(14-21(31-3)22(17)32-4)24(30)27-20-10-6-9-19(15-20)26-23(29)16(2)28-12-7-11-25-28/h5-7,9-16H,1,8H2,2-4H3,(H,26,29)(H,27,30)
InChIKeyHRATYDUJISVQKA-UHFFFAOYSA-N
MW434.50 g/mol
LogP4.08
Rot. Bonds9

About 3,4-dimethoxy-5-prop-2-enyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide

3,4-dimethoxy-5-prop-2-enyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide (PubChem CID 43068745) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is 3,4-dimethoxy-5-prop-2-enyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-5-prop-2-enyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
PubChem CID43068745
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name3,4-dimethoxy-5-prop-2-enyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
SMILESC=CCc1cc(C(=O)Nc2cccc(NC(=O)C(C)n3cccn3)c2)cc(OC)c1OC
InChIInChI=1S/C24H26N4O4/c1-5-8-17-13-18(14-21(31-3)22(17)32-4)24(30)27-20-10-6-9-19(15-20)26-23(29)16(2)28-12-7-11-25-28/h5-7,9-16H,1,8H2,2-4H3,(H,26,29)(H,27,30)
InChIKeyHRATYDUJISVQKA-UHFFFAOYSA-N
XLogP4.08
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-trimethoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 46427808
4-methoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42959595
3-methoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42958662
3,4-dimethoxy-N-[3-(1-methyltetrazol-5-yl)phenyl]-5-prop-2-enylbenzamide
CID 41360681
N-[3-[[2-(2,4-dimethoxyphenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 43068731
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 27256082
(2S)-N-[3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 34385299
4-phenoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 46468293
3-(dimethylamino)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 46427767
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
3,4-dimethoxy-N-(3-methylbutan-2-yl)-5-prop-2-enylbenzamide
CID 43035063
3,4-dimethoxy-N-(2-methylpropyl)-5-prop-2-enylbenzamide
CID 18106056

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-5-prop-2-enyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide?
The IUPAC name of 3,4-dimethoxy-5-prop-2-enyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide (CID 43068745) is 3,4-dimethoxy-5-prop-2-enyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-5-prop-2-enyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-5-prop-2-enyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide is C=CCc1cc(C(=O)Nc2cccc(NC(=O)C(C)n3cccn3)c2)cc(OC)c1OC.
What is the InChIKey of 3,4-dimethoxy-5-prop-2-enyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide?
The InChIKey is HRATYDUJISVQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-5-8-17-13-18(14-21(31-3)22(17)32-4)24(30)27-20-10-6-9-19(15-20)26-23(29)16(2)28-12-7-11-25-28/h5-7,9-16H,1,8H2,2-4H3,(H,26,29)(H,27,30).
What are the key properties of 3,4-dimethoxy-5-prop-2-enyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide?
3,4-dimethoxy-5-prop-2-enyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide has a molecular weight of 434.50 g/mol, XLogP of 4.08, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-5-prop-2-enyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide is sourced from PubChem (CID 43068745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).