N-[1-[2-[(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)amino]-2-oxoethyl]pyrazol-4-yl]-3-(2-methoxyphenyl)propanamide

C24H32N4O4 — CID 45220908

IUPACN-[1-[2-[(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)amino]-2-oxoethyl]pyrazol-4-yl]-3-(2-methoxyphenyl)propanamide
SMILESC=CCC(O)(CC=C)C(C)NC(=O)Cn1cc(NC(=O)CCc2ccccc2OC)cn1
InChIInChI=1S/C24H32N4O4/c1-5-13-24(31,14-6-2)18(3)26-23(30)17-28-16-20(15-25-28)27-22(29)12-11-19-9-7-8-10-21(19)32-4/h5-10,15-16,18,31H,1-2,11-14,17H2,3-4H3,(H,26,30)(H,27,29)
InChIKeyUGPUOYJIDBVRAT-UHFFFAOYSA-N
MW440.54 g/mol
LogP2.85
Rot. Bonds13

About N-[1-[2-[(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)amino]-2-oxoethyl]pyrazol-4-yl]-3-(2-methoxyphenyl)propanamide

N-[1-[2-[(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)amino]-2-oxoethyl]pyrazol-4-yl]-3-(2-methoxyphenyl)propanamide (PubChem CID 45220908) has the molecular formula C24H32N4O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is N-[1-[2-[(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)amino]-2-oxoethyl]pyrazol-4-yl]-3-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[1-[2-[(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)amino]-2-oxoethyl]pyrazol-4-yl]-3-(2-methoxyphenyl)propanamide
PubChem CID45220908
Molecular FormulaC24H32N4O4
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC NameN-[1-[2-[(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)amino]-2-oxoethyl]pyrazol-4-yl]-3-(2-methoxyphenyl)propanamide
SMILESC=CCC(O)(CC=C)C(C)NC(=O)Cn1cc(NC(=O)CCc2ccccc2OC)cn1
InChIInChI=1S/C24H32N4O4/c1-5-13-24(31,14-6-2)18(3)26-23(30)17-28-16-20(15-25-28)27-22(29)12-11-19-9-7-8-10-21(19)32-4/h5-10,15-16,18,31H,1-2,11-14,17H2,3-4H3,(H,26,30)(H,27,29)
InChIKeyUGPUOYJIDBVRAT-UHFFFAOYSA-N
XLogP2.85
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyphenyl)-N-[1-[2-oxo-2-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]pyrazol-4-yl]propanamide
CID 45226469
3-(2-methoxyphenyl)-N-phenylpropanamide
CID 7732837
3-(2-aminophenyl)-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]propanamide;hydrochloride
CID 120611234
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N-[1-[2-[furan-2-ylmethyl(prop-2-ynyl)amino]-2-oxoethyl]pyrazol-4-yl]-3-(2-methoxyphenyl)propanamide
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CID 126462403
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2-(2-methoxyphenyl)-N-[1-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]acetamide
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3-(2-aminophenyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide
CID 120611080
2-(2-methoxyphenyl)-N-[1-[2-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide
CID 42471191
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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)amino]-2-oxoethyl]pyrazol-4-yl]-3-(2-methoxyphenyl)propanamide?
The IUPAC name of N-[1-[2-[(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)amino]-2-oxoethyl]pyrazol-4-yl]-3-(2-methoxyphenyl)propanamide (CID 45220908) is N-[1-[2-[(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)amino]-2-oxoethyl]pyrazol-4-yl]-3-(2-methoxyphenyl)propanamide.
What is the SMILES notation for N-[1-[2-[(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)amino]-2-oxoethyl]pyrazol-4-yl]-3-(2-methoxyphenyl)propanamide?
The canonical SMILES for N-[1-[2-[(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)amino]-2-oxoethyl]pyrazol-4-yl]-3-(2-methoxyphenyl)propanamide is C=CCC(O)(CC=C)C(C)NC(=O)Cn1cc(NC(=O)CCc2ccccc2OC)cn1.
What is the InChIKey of N-[1-[2-[(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)amino]-2-oxoethyl]pyrazol-4-yl]-3-(2-methoxyphenyl)propanamide?
The InChIKey is UGPUOYJIDBVRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4/c1-5-13-24(31,14-6-2)18(3)26-23(30)17-28-16-20(15-25-28)27-22(29)12-11-19-9-7-8-10-21(19)32-4/h5-10,15-16,18,31H,1-2,11-14,17H2,3-4H3,(H,26,30)(H,27,29).
What are the key properties of N-[1-[2-[(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)amino]-2-oxoethyl]pyrazol-4-yl]-3-(2-methoxyphenyl)propanamide?
N-[1-[2-[(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)amino]-2-oxoethyl]pyrazol-4-yl]-3-(2-methoxyphenyl)propanamide has a molecular weight of 440.54 g/mol, XLogP of 2.85, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)amino]-2-oxoethyl]pyrazol-4-yl]-3-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 45220908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).