(3R)-N-[3-(2-methoxyethoxy)phenyl]-3-phenylpyrrolidine-1-carboxamide

C20H24N2O3 — CID 95592117

IUPAC(3R)-N-[3-(2-methoxyethoxy)phenyl]-3-phenylpyrrolidine-1-carboxamide
SMILESCOCCOc1cccc(NC(=O)N2CC[C@H](c3ccccc3)C2)c1
InChIInChI=1S/C20H24N2O3/c1-24-12-13-25-19-9-5-8-18(14-19)21-20(23)22-11-10-17(15-22)16-6-3-2-4-7-16/h2-9,14,17H,10-13,15H2,1H3,(H,21,23)/t17-/m0/s1
InChIKeyMDPCFSIYXVKSFZ-KRWDZBQOSA-N
MW340.42 g/mol
LogP3.73
Rot. Bonds6

About (3R)-N-[3-(2-methoxyethoxy)phenyl]-3-phenylpyrrolidine-1-carboxamide

(3R)-N-[3-(2-methoxyethoxy)phenyl]-3-phenylpyrrolidine-1-carboxamide (PubChem CID 95592117) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is (3R)-N-[3-(2-methoxyethoxy)phenyl]-3-phenylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[3-(2-methoxyethoxy)phenyl]-3-phenylpyrrolidine-1-carboxamide
PubChem CID95592117
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name(3R)-N-[3-(2-methoxyethoxy)phenyl]-3-phenylpyrrolidine-1-carboxamide
SMILESCOCCOc1cccc(NC(=O)N2CC[C@H](c3ccccc3)C2)c1
InChIInChI=1S/C20H24N2O3/c1-24-12-13-25-19-9-5-8-18(14-19)21-20(23)22-11-10-17(15-22)16-6-3-2-4-7-16/h2-9,14,17H,10-13,15H2,1H3,(H,21,23)/t17-/m0/s1
InChIKeyMDPCFSIYXVKSFZ-KRWDZBQOSA-N
XLogP3.73
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[[3-(2-methoxyethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122076774
(3S)-N-[3-(2-methoxyethoxy)phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 95168046
3-phenyl-N-[3-[(3-phenylpyrrolidine-1-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 5112154
(3S)-1-N-[3-(2-methoxyethoxy)phenyl]-3-N,3-N-dimethylpiperidine-1,3-dicarboxamide
CID 95572739
(3R)-N-[3-(2-methoxyethoxy)phenyl]-3-(propanoylamino)piperidine-1-carboxamide
CID 95297501
N-(4-decoxyphenyl)-3-phenylpyrrolidine-1-carboxamide
CID 3108313
2-(3-chlorophenyl)-N-[3-(2-methoxyethoxy)phenyl]pyrrolidine-1-carboxamide
CID 87010152
N-(3,4-dimethylphenyl)-3-phenylpyrrolidine-1-carboxamide
CID 5065354
3-(2,6-dimethylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]azetidine-1-carboxamide
CID 72904447
3-hydroxy-N-(3-propoxyphenyl)piperidine-1-carboxamide
CID 47202480
3-hydroxy-N-[3-(2-phenylethoxy)phenyl]piperidine-1-carboxamide
CID 110896856
1-[[3-(2-phenylethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122092864

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[3-(2-methoxyethoxy)phenyl]-3-phenylpyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-[3-(2-methoxyethoxy)phenyl]-3-phenylpyrrolidine-1-carboxamide (CID 95592117) is (3R)-N-[3-(2-methoxyethoxy)phenyl]-3-phenylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[3-(2-methoxyethoxy)phenyl]-3-phenylpyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-[3-(2-methoxyethoxy)phenyl]-3-phenylpyrrolidine-1-carboxamide is COCCOc1cccc(NC(=O)N2CC[C@H](c3ccccc3)C2)c1.
What is the InChIKey of (3R)-N-[3-(2-methoxyethoxy)phenyl]-3-phenylpyrrolidine-1-carboxamide?
The InChIKey is MDPCFSIYXVKSFZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-24-12-13-25-19-9-5-8-18(14-19)21-20(23)22-11-10-17(15-22)16-6-3-2-4-7-16/h2-9,14,17H,10-13,15H2,1H3,(H,21,23)/t17-/m0/s1.
What are the key properties of (3R)-N-[3-(2-methoxyethoxy)phenyl]-3-phenylpyrrolidine-1-carboxamide?
(3R)-N-[3-(2-methoxyethoxy)phenyl]-3-phenylpyrrolidine-1-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[3-(2-methoxyethoxy)phenyl]-3-phenylpyrrolidine-1-carboxamide is sourced from PubChem (CID 95592117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).