1-[(4-methoxyphenyl)methyl]-3-phenyl-2-propan-2-yl-4-prop-2-enoxy-2H-pyrrol-5-one

C24H27NO3 — CID 177455231

IUPAC1-[(4-methoxyphenyl)methyl]-3-phenyl-2-propan-2-yl-4-prop-2-enoxy-2H-pyrrol-5-one
SMILESC=CCOC1=C(c2ccccc2)C(C(C)C)N(Cc2ccc(OC)cc2)C1=O
InChIInChI=1S/C24H27NO3/c1-5-15-28-23-21(19-9-7-6-8-10-19)22(17(2)3)25(24(23)26)16-18-11-13-20(27-4)14-12-18/h5-14,17,22H,1,15-16H2,2-4H3
InChIKeyZALFFKOVRMNZSC-UHFFFAOYSA-N
MW377.48 g/mol
LogP4.68
Rot. Bonds8

About 1-[(4-methoxyphenyl)methyl]-3-phenyl-2-propan-2-yl-4-prop-2-enoxy-2H-pyrrol-5-one

1-[(4-methoxyphenyl)methyl]-3-phenyl-2-propan-2-yl-4-prop-2-enoxy-2H-pyrrol-5-one (PubChem CID 177455231) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3-phenyl-2-propan-2-yl-4-prop-2-enoxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-3-phenyl-2-propan-2-yl-4-prop-2-enoxy-2H-pyrrol-5-one
PubChem CID177455231
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Name1-[(4-methoxyphenyl)methyl]-3-phenyl-2-propan-2-yl-4-prop-2-enoxy-2H-pyrrol-5-one
SMILESC=CCOC1=C(c2ccccc2)C(C(C)C)N(Cc2ccc(OC)cc2)C1=O
InChIInChI=1S/C24H27NO3/c1-5-15-28-23-21(19-9-7-6-8-10-19)22(17(2)3)25(24(23)26)16-18-11-13-20(27-4)14-12-18/h5-14,17,22H,1,15-16H2,2-4H3
InChIKeyZALFFKOVRMNZSC-UHFFFAOYSA-N
XLogP4.68
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6S)-1,4-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpiperazine-2,3,5-trione
CID 11825743
(3S)-4-[(4-methoxyphenyl)methyl]-3-propan-2-yl-1,3-dihydroquinoxalin-2-one
CID 141170214
(3R,4S)-3-ethenyl-1-[(4-methoxyphenyl)methyl]-4-phenylazetidin-2-one
CID 10266407
(2R)-4-hydroxy-3-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-2-phenyl-2H-pyrrol-5-one
CID 94072850
(3R,6S)-3-hydroxy-1,4-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 11047909
2-(4-ethylphenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 50774223
2-[4-(difluoromethoxy)phenyl]-4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 50743703
(3R,6S)-3-ethyl-1,4-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 15830795
(5S)-6-methoxy-4-[(4-methoxyphenyl)methyl]-5-propan-2-yl-2,5-dihydropyrazin-3-one
CID 16725898
4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-pentyl-3-phenyl-2H-pyrrol-5-one
CID 177477097
(2R)-2-(2-fluorophenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 94071792
(6S)-4,7-bis[(4-methoxyphenyl)methyl]-6-propan-2-yl-4,7-diazaspiro[2.5]octane-5,8-dione
CID 11133627

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-phenyl-2-propan-2-yl-4-prop-2-enoxy-2H-pyrrol-5-one?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-phenyl-2-propan-2-yl-4-prop-2-enoxy-2H-pyrrol-5-one (CID 177455231) is 1-[(4-methoxyphenyl)methyl]-3-phenyl-2-propan-2-yl-4-prop-2-enoxy-2H-pyrrol-5-one.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-3-phenyl-2-propan-2-yl-4-prop-2-enoxy-2H-pyrrol-5-one?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3-phenyl-2-propan-2-yl-4-prop-2-enoxy-2H-pyrrol-5-one is C=CCOC1=C(c2ccccc2)C(C(C)C)N(Cc2ccc(OC)cc2)C1=O.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-3-phenyl-2-propan-2-yl-4-prop-2-enoxy-2H-pyrrol-5-one?
The InChIKey is ZALFFKOVRMNZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c1-5-15-28-23-21(19-9-7-6-8-10-19)22(17(2)3)25(24(23)26)16-18-11-13-20(27-4)14-12-18/h5-14,17,22H,1,15-16H2,2-4H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-3-phenyl-2-propan-2-yl-4-prop-2-enoxy-2H-pyrrol-5-one?
1-[(4-methoxyphenyl)methyl]-3-phenyl-2-propan-2-yl-4-prop-2-enoxy-2H-pyrrol-5-one has a molecular weight of 377.48 g/mol, XLogP of 4.68, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-3-phenyl-2-propan-2-yl-4-prop-2-enoxy-2H-pyrrol-5-one is sourced from PubChem (CID 177455231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).