[phenyl-(4-phenylmethoxyphenyl)carbamoyl] pyrrolidine-1-carboxylate

C25H24N2O4 — CID 90928866

IUPAC[phenyl-(4-phenylmethoxyphenyl)carbamoyl] pyrrolidine-1-carboxylate
SMILESO=C(OC(=O)N(c1ccccc1)c1ccc(OCc2ccccc2)cc1)N1CCCC1
InChIInChI=1S/C25H24N2O4/c28-24(26-17-7-8-18-26)31-25(29)27(21-11-5-2-6-12-21)22-13-15-23(16-14-22)30-19-20-9-3-1-4-10-20/h1-6,9-16H,7-8,17-19H2
InChIKeyPYCOVXXUYQAWDB-UHFFFAOYSA-N
MW416.48 g/mol
LogP5.76
Rot. Bonds5

About [phenyl-(4-phenylmethoxyphenyl)carbamoyl] pyrrolidine-1-carboxylate

[phenyl-(4-phenylmethoxyphenyl)carbamoyl] pyrrolidine-1-carboxylate (PubChem CID 90928866) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is [phenyl-(4-phenylmethoxyphenyl)carbamoyl] pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name[phenyl-(4-phenylmethoxyphenyl)carbamoyl] pyrrolidine-1-carboxylate
PubChem CID90928866
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name[phenyl-(4-phenylmethoxyphenyl)carbamoyl] pyrrolidine-1-carboxylate
SMILESO=C(OC(=O)N(c1ccccc1)c1ccc(OCc2ccccc2)cc1)N1CCCC1
InChIInChI=1S/C25H24N2O4/c28-24(26-17-7-8-18-26)31-25(29)27(21-11-5-2-6-12-21)22-13-15-23(16-14-22)30-19-20-9-3-1-4-10-20/h1-6,9-16H,7-8,17-19H2
InChIKeyPYCOVXXUYQAWDB-UHFFFAOYSA-N
XLogP5.76
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.48
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze [phenyl-(4-phenylmethoxyphenyl)carbamoyl] pyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azepan-1-yl-(4-phenylmethoxyphenyl)methanone
CID 4958376
[4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]-pyrrolidin-1-ylmethanone
CID 59382130
benzyl piperidine-1-carboxylate
CID 158057698
(E)-1-(azepan-1-yl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
CID 724601
N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 45286233
azepan-1-yl-[4-(phenoxymethyl)phenyl]methanone
CID 55334830
[3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]methyl pyrrolidine-1-carboxylate
CID 46893513
4-phenylmethoxybenzoic acid
CID 68896574
cyclopropyl-(4-phenylmethoxyphenyl)methanone
CID 6482534
N-(4-phenylmethoxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54833960
cyclopropyl-(4-phenylmethoxyphenyl)carbamic acid
CID 67143911
(2-phenoxy-1-phenylmethoxyethyl) azepane-1-carboxylate
CID 57003333

Frequently Asked Questions

What is the IUPAC name of [phenyl-(4-phenylmethoxyphenyl)carbamoyl] pyrrolidine-1-carboxylate?
The IUPAC name of [phenyl-(4-phenylmethoxyphenyl)carbamoyl] pyrrolidine-1-carboxylate (CID 90928866) is [phenyl-(4-phenylmethoxyphenyl)carbamoyl] pyrrolidine-1-carboxylate.
What is the SMILES notation for [phenyl-(4-phenylmethoxyphenyl)carbamoyl] pyrrolidine-1-carboxylate?
The canonical SMILES for [phenyl-(4-phenylmethoxyphenyl)carbamoyl] pyrrolidine-1-carboxylate is O=C(OC(=O)N(c1ccccc1)c1ccc(OCc2ccccc2)cc1)N1CCCC1.
What is the InChIKey of [phenyl-(4-phenylmethoxyphenyl)carbamoyl] pyrrolidine-1-carboxylate?
The InChIKey is PYCOVXXUYQAWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c28-24(26-17-7-8-18-26)31-25(29)27(21-11-5-2-6-12-21)22-13-15-23(16-14-22)30-19-20-9-3-1-4-10-20/h1-6,9-16H,7-8,17-19H2.
What are the key properties of [phenyl-(4-phenylmethoxyphenyl)carbamoyl] pyrrolidine-1-carboxylate?
[phenyl-(4-phenylmethoxyphenyl)carbamoyl] pyrrolidine-1-carboxylate has a molecular weight of 416.48 g/mol, XLogP of 5.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [phenyl-(4-phenylmethoxyphenyl)carbamoyl] pyrrolidine-1-carboxylate is sourced from PubChem (CID 90928866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).