ethyl 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]-6-(4-phenylphenyl)hexanoate

C24H27N3O4 — CID 91161521

IUPACethyl 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]-6-(4-phenylphenyl)hexanoate
SMILESCCOC(=O)CCC(CCc1ccc(-c2ccccc2)cc1)NC(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C24H27N3O4/c1-2-31-22(28)15-14-20(26-23(29)21-16-25-24(30)27-21)13-10-17-8-11-19(12-9-17)18-6-4-3-5-7-18/h3-9,11-12,16,20H,2,10,13-15H2,1H3,(H,26,29)(H2,25,27,30)
InChIKeyXWJQDYOFMWPEOR-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.44
Rot. Bonds10

About ethyl 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]-6-(4-phenylphenyl)hexanoate

ethyl 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]-6-(4-phenylphenyl)hexanoate (PubChem CID 91161521) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is ethyl 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]-6-(4-phenylphenyl)hexanoate.

Molecular Properties

Compound Nameethyl 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]-6-(4-phenylphenyl)hexanoate
PubChem CID91161521
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Nameethyl 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]-6-(4-phenylphenyl)hexanoate
SMILESCCOC(=O)CCC(CCc1ccc(-c2ccccc2)cc1)NC(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C24H27N3O4/c1-2-31-22(28)15-14-20(26-23(29)21-16-25-24(30)27-21)13-10-17-8-11-19(12-9-17)18-6-4-3-5-7-18/h3-9,11-12,16,20H,2,10,13-15H2,1H3,(H,26,29)(H2,25,27,30)
InChIKeyXWJQDYOFMWPEOR-UHFFFAOYSA-N
XLogP3.44
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[6-ethoxy-6-oxo-1-(4-phenylphenyl)hexan-3-yl]carbamoyl]-1H-pyrazole-5-carboxylic acid
CID 90795319
ethyl 4-[[6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]-6-(4-phenylphenyl)hexanoate
CID 90709175
2-phenylethyl 5-[[(2R)-1-[4-(3-chlorophenyl)phenyl]-4-ethoxy-4-oxobutan-2-yl]carbamoyl]-1H-pyrrole-2-carboxylate
CID 59607535
2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid
CID 43469889
ethyl 4-methylpentanoate;ethyl 3-phenylpropanoate
CID 174922594
ethyl (2R,4S)-2-methyl-4-[(2-oxo-3H-1,3-oxazole-5-carbonyl)amino]-5-(4-phenylphenyl)pentanoate
CID 59608259
ethyl (4S)-5-[(2-ethoxy-2-oxoethyl)amino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoate
CID 102461717
ethyl 2-[[2-(4-phenylphenyl)acetyl]amino]acetate
CID 163761967
ethyl 3-(4-phenylbutan-2-ylamino)propanoate
CID 24773124
ethyl 4-(2-phenylethylamino)pentanoate
CID 67423841
(3S)-4-[[(2S)-1,5-diethoxy-1,5-dioxopentan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid
CID 54035750
(2S)-5-ethoxy-5-oxo-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid
CID 107039318

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]-6-(4-phenylphenyl)hexanoate?
The IUPAC name of ethyl 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]-6-(4-phenylphenyl)hexanoate (CID 91161521) is ethyl 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]-6-(4-phenylphenyl)hexanoate.
What is the SMILES notation for ethyl 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]-6-(4-phenylphenyl)hexanoate?
The canonical SMILES for ethyl 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]-6-(4-phenylphenyl)hexanoate is CCOC(=O)CCC(CCc1ccc(-c2ccccc2)cc1)NC(=O)c1c[nH]c(=O)[nH]1.
What is the InChIKey of ethyl 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]-6-(4-phenylphenyl)hexanoate?
The InChIKey is XWJQDYOFMWPEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-2-31-22(28)15-14-20(26-23(29)21-16-25-24(30)27-21)13-10-17-8-11-19(12-9-17)18-6-4-3-5-7-18/h3-9,11-12,16,20H,2,10,13-15H2,1H3,(H,26,29)(H2,25,27,30).
What are the key properties of ethyl 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]-6-(4-phenylphenyl)hexanoate?
ethyl 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]-6-(4-phenylphenyl)hexanoate has a molecular weight of 421.50 g/mol, XLogP of 3.44, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]-6-(4-phenylphenyl)hexanoate is sourced from PubChem (CID 91161521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).