[4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-[(4-phenylbenzoyl)amino]acetate

C27H26N2O4 — CID 32970914

IUPAC[4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-[(4-phenylbenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(-c2ccccc2)cc1)OCc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C27H26N2O4/c30-25(33-19-20-8-10-24(11-9-20)27(32)29-16-4-5-17-29)18-28-26(31)23-14-12-22(13-15-23)21-6-2-1-3-7-21/h1-3,6-15H,4-5,16-19H2,(H,28,31)
InChIKeyOZDRSJNOUVUNIF-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.06
Rot. Bonds7

About [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-[(4-phenylbenzoyl)amino]acetate

[4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-[(4-phenylbenzoyl)amino]acetate (PubChem CID 32970914) has the molecular formula C27H26N2O4 and a molecular weight of 442.52 g/mol. Its IUPAC name is [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-[(4-phenylbenzoyl)amino]acetate.

Molecular Properties

Compound Name[4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-[(4-phenylbenzoyl)amino]acetate
PubChem CID32970914
Molecular FormulaC27H26N2O4
Molecular Weight442.52 g/mol
Exact Mass442.19
IUPAC Name[4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-[(4-phenylbenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(-c2ccccc2)cc1)OCc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C27H26N2O4/c30-25(33-19-20-8-10-24(11-9-20)27(32)29-16-4-5-17-29)18-28-26(31)23-14-12-22(13-15-23)21-6-2-1-3-7-21/h1-3,6-15H,4-5,16-19H2,(H,28,31)
InChIKeyOZDRSJNOUVUNIF-UHFFFAOYSA-N
XLogP4.06
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-phenylbenzoyl)amino]acetate
CID 2417351
(2-oxo-2-piperidin-1-ylethyl) 2-[(4-phenylbenzoyl)amino]acetate
CID 8921487
(4-cyanophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate
CID 2401956
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-phenylbenzamide
CID 25166103
[1-(azepan-1-yl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate
CID 46629792
(4-phenylphenyl)methyl 2-[(2-phenylacetyl)amino]acetate
CID 7826713
benzyl 2-benzamidoacetate;ethane
CID 142836612
cyclohexylmethyl 2-[(4-phenylbenzoyl)amino]acetate
CID 7854658
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 9492409
azepan-1-yl-[4-(phenoxymethyl)phenyl]methanone
CID 55334830
N-[2-oxo-2-[[1-(4-phenylbenzoyl)piperidin-4-yl]amino]ethyl]benzamide
CID 108550400
(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-phenoxybenzoyl)amino]acetate
CID 8790353

Frequently Asked Questions

What is the IUPAC name of [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-[(4-phenylbenzoyl)amino]acetate?
The IUPAC name of [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-[(4-phenylbenzoyl)amino]acetate (CID 32970914) is [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-[(4-phenylbenzoyl)amino]acetate.
What is the SMILES notation for [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-[(4-phenylbenzoyl)amino]acetate?
The canonical SMILES for [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-[(4-phenylbenzoyl)amino]acetate is O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)OCc1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-[(4-phenylbenzoyl)amino]acetate?
The InChIKey is OZDRSJNOUVUNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4/c30-25(33-19-20-8-10-24(11-9-20)27(32)29-16-4-5-17-29)18-28-26(31)23-14-12-22(13-15-23)21-6-2-1-3-7-21/h1-3,6-15H,4-5,16-19H2,(H,28,31).
What are the key properties of [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-[(4-phenylbenzoyl)amino]acetate?
[4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-[(4-phenylbenzoyl)amino]acetate has a molecular weight of 442.52 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-[(4-phenylbenzoyl)amino]acetate is sourced from PubChem (CID 32970914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).