benzyl 2-[(3-hydroxyphenyl)-phenylcarbamoyl]pyrrolidine-1-carboxylate

C25H24N2O4 — CID 90904602

IUPACbenzyl 2-[(3-hydroxyphenyl)-phenylcarbamoyl]pyrrolidine-1-carboxylate
SMILESO=C(C1CCCN1C(=O)OCc1ccccc1)N(c1ccccc1)c1cccc(O)c1
InChIInChI=1S/C25H24N2O4/c28-22-14-7-13-21(17-22)27(20-11-5-2-6-12-20)24(29)23-15-8-16-26(23)25(30)31-18-19-9-3-1-4-10-19/h1-7,9-14,17,23,28H,8,15-16,18H2
InChIKeyZTZLIVMQQNAUHC-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.86
Rot. Bonds5

About benzyl 2-[(3-hydroxyphenyl)-phenylcarbamoyl]pyrrolidine-1-carboxylate

benzyl 2-[(3-hydroxyphenyl)-phenylcarbamoyl]pyrrolidine-1-carboxylate (PubChem CID 90904602) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is benzyl 2-[(3-hydroxyphenyl)-phenylcarbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-[(3-hydroxyphenyl)-phenylcarbamoyl]pyrrolidine-1-carboxylate
PubChem CID90904602
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Namebenzyl 2-[(3-hydroxyphenyl)-phenylcarbamoyl]pyrrolidine-1-carboxylate
SMILESO=C(C1CCCN1C(=O)OCc1ccccc1)N(c1ccccc1)c1cccc(O)c1
InChIInChI=1S/C25H24N2O4/c28-22-14-7-13-21(17-22)27(20-11-5-2-6-12-20)24(29)23-15-8-16-26(23)25(30)31-18-19-9-3-1-4-10-19/h1-7,9-14,17,23,28H,8,15-16,18H2
InChIKeyZTZLIVMQQNAUHC-UHFFFAOYSA-N
XLogP4.86
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-[methyl(phenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 14614673
benzyl 2-benzoylpyrrolidine-1-carboxylate
CID 110357682
benzyl 2-[(3,4-dichloro-2,5-dioxopyrrol-1-yl)-(3-phenylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 91448532
benzyl 2-[(4-aminophenyl)-(1,3-thiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 91270592
benzyl 2-[(3,4-dichlorophenyl)-(1,3-thiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 90726129
[amino-(1-phenylmethoxycarbonylpyrrolidin-2-yl)methylidene]azanium chloride
CID 135905283
benzyl (2R)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 667614
benzyl (2R)-2-acetylpiperidine-1-carboxylate
CID 89477385
benzyl 2-(2-acetyl-3-oxobutanoyl)pyrrolidine-1-carboxylate
CID 59850464
benzyl (2S)-2-[(2S)-2-aminopropanoyl]pyrrolidine-1-carboxylate
CID 10869549
benzyl 2-[(4-nitrophenoxy)-phenylcarbamoyl]pyrrolidine-1-carboxylate
CID 91552658
1-[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]azetidine-2-carboxylic acid
CID 14499798

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(3-hydroxyphenyl)-phenylcarbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of benzyl 2-[(3-hydroxyphenyl)-phenylcarbamoyl]pyrrolidine-1-carboxylate (CID 90904602) is benzyl 2-[(3-hydroxyphenyl)-phenylcarbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl 2-[(3-hydroxyphenyl)-phenylcarbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl 2-[(3-hydroxyphenyl)-phenylcarbamoyl]pyrrolidine-1-carboxylate is O=C(C1CCCN1C(=O)OCc1ccccc1)N(c1ccccc1)c1cccc(O)c1.
What is the InChIKey of benzyl 2-[(3-hydroxyphenyl)-phenylcarbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is ZTZLIVMQQNAUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c28-22-14-7-13-21(17-22)27(20-11-5-2-6-12-20)24(29)23-15-8-16-26(23)25(30)31-18-19-9-3-1-4-10-19/h1-7,9-14,17,23,28H,8,15-16,18H2.
What are the key properties of benzyl 2-[(3-hydroxyphenyl)-phenylcarbamoyl]pyrrolidine-1-carboxylate?
benzyl 2-[(3-hydroxyphenyl)-phenylcarbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 416.48 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(3-hydroxyphenyl)-phenylcarbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 90904602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).