methyl N-[1-(4-methoxyphenyl)-3-oxo-3-(1-phenylimidazol-2-yl)propyl]-N-phenylcarbamate

C27H25N3O4 — CID 138973768

IUPACmethyl N-[1-(4-methoxyphenyl)-3-oxo-3-(1-phenylimidazol-2-yl)propyl]-N-phenylcarbamate
SMILESCOC(=O)N(c1ccccc1)C(CC(=O)c1nccn1-c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C27H25N3O4/c1-33-23-15-13-20(14-16-23)24(30(27(32)34-2)22-11-7-4-8-12-22)19-25(31)26-28-17-18-29(26)21-9-5-3-6-10-21/h3-18,24H,19H2,1-2H3
InChIKeyPGDPBOKNFOZZGJ-UHFFFAOYSA-N
MW455.51 g/mol
LogP5.47
Rot. Bonds8

About methyl N-[1-(4-methoxyphenyl)-3-oxo-3-(1-phenylimidazol-2-yl)propyl]-N-phenylcarbamate

methyl N-[1-(4-methoxyphenyl)-3-oxo-3-(1-phenylimidazol-2-yl)propyl]-N-phenylcarbamate (PubChem CID 138973768) has the molecular formula C27H25N3O4 and a molecular weight of 455.51 g/mol. Its IUPAC name is methyl N-[1-(4-methoxyphenyl)-3-oxo-3-(1-phenylimidazol-2-yl)propyl]-N-phenylcarbamate.

Molecular Properties

Compound Namemethyl N-[1-(4-methoxyphenyl)-3-oxo-3-(1-phenylimidazol-2-yl)propyl]-N-phenylcarbamate
PubChem CID138973768
Molecular FormulaC27H25N3O4
Molecular Weight455.51 g/mol
Exact Mass455.18
IUPAC Namemethyl N-[1-(4-methoxyphenyl)-3-oxo-3-(1-phenylimidazol-2-yl)propyl]-N-phenylcarbamate
SMILESCOC(=O)N(c1ccccc1)C(CC(=O)c1nccn1-c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C27H25N3O4/c1-33-23-15-13-20(14-16-23)24(30(27(32)34-2)22-11-7-4-8-12-22)19-25(31)26-28-17-18-29(26)21-9-5-3-6-10-21/h3-18,24H,19H2,1-2H3
InChIKeyPGDPBOKNFOZZGJ-UHFFFAOYSA-N
XLogP5.47
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.51
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl N-[1-(4-methoxyphenyl)-3-oxo-3-(1-phenylimidazol-2-yl)propyl]-N-phenylcarbamate with MolForge

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Related Compounds

(2R)-3,3,3-trichloro-2-(4-methoxyphenyl)-1-(1-phenylimidazol-2-yl)propan-1-one
CID 122233658
(3R)-3-methyl-4-phenyl-1-(1-phenylimidazol-2-yl)butan-1-one
CID 162408817
(3S)-3-(4-methoxyphenyl)-1-(1-methylimidazol-2-yl)butan-1-one
CID 122382823
(3R)-3-(4-methoxyphenyl)-1-phenyl-3-pyrazol-1-ylpropan-1-one
CID 102125729
(2S)-2-phenyl-1-(1-phenylimidazol-2-yl)-3-(N-propan-2-ylanilino)propan-1-one
CID 134955085
(3S)-3-(3-methyl-1H-indol-2-yl)-3-phenyl-1-(1-phenylimidazol-2-yl)propan-1-one
CID 132991303
methyl (3S)-3-(4-methoxyphenyl)-3-phenylpropanoate
CID 134965407
methyl (2R,4S)-4-(4-methoxyphenyl)-2-methyl-4-(N-phenylanilino)butanoate
CID 134852762
tert-butyl (2R,3R)-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-2-[2-oxo-2-(1-phenylimidazol-2-yl)ethyl]butanoate
CID 132530310
3-(hydroxyamino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
CID 15639389
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 18161950
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 40684880

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(4-methoxyphenyl)-3-oxo-3-(1-phenylimidazol-2-yl)propyl]-N-phenylcarbamate?
The IUPAC name of methyl N-[1-(4-methoxyphenyl)-3-oxo-3-(1-phenylimidazol-2-yl)propyl]-N-phenylcarbamate (CID 138973768) is methyl N-[1-(4-methoxyphenyl)-3-oxo-3-(1-phenylimidazol-2-yl)propyl]-N-phenylcarbamate.
What is the SMILES notation for methyl N-[1-(4-methoxyphenyl)-3-oxo-3-(1-phenylimidazol-2-yl)propyl]-N-phenylcarbamate?
The canonical SMILES for methyl N-[1-(4-methoxyphenyl)-3-oxo-3-(1-phenylimidazol-2-yl)propyl]-N-phenylcarbamate is COC(=O)N(c1ccccc1)C(CC(=O)c1nccn1-c1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of methyl N-[1-(4-methoxyphenyl)-3-oxo-3-(1-phenylimidazol-2-yl)propyl]-N-phenylcarbamate?
The InChIKey is PGDPBOKNFOZZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O4/c1-33-23-15-13-20(14-16-23)24(30(27(32)34-2)22-11-7-4-8-12-22)19-25(31)26-28-17-18-29(26)21-9-5-3-6-10-21/h3-18,24H,19H2,1-2H3.
What are the key properties of methyl N-[1-(4-methoxyphenyl)-3-oxo-3-(1-phenylimidazol-2-yl)propyl]-N-phenylcarbamate?
methyl N-[1-(4-methoxyphenyl)-3-oxo-3-(1-phenylimidazol-2-yl)propyl]-N-phenylcarbamate has a molecular weight of 455.51 g/mol, XLogP of 5.47, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(4-methoxyphenyl)-3-oxo-3-(1-phenylimidazol-2-yl)propyl]-N-phenylcarbamate is sourced from PubChem (CID 138973768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).