2-(3-phenylmethoxypropyl)pyrrolidine-2-carboxamide

C15H22N2O2 — CID 173103378

IUPAC2-(3-phenylmethoxypropyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1(CCCOCc2ccccc2)CCCN1
InChIInChI=1S/C15H22N2O2/c16-14(18)15(8-4-10-17-15)9-5-11-19-12-13-6-2-1-3-7-13/h1-3,6-7,17H,4-5,8-12H2,(H2,16,18)
InChIKeyYTUJGIJLVZMPBG-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.59
Rot. Bonds7

About 2-(3-phenylmethoxypropyl)pyrrolidine-2-carboxamide

2-(3-phenylmethoxypropyl)pyrrolidine-2-carboxamide (PubChem CID 173103378) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(3-phenylmethoxypropyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-(3-phenylmethoxypropyl)pyrrolidine-2-carboxamide
PubChem CID173103378
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-(3-phenylmethoxypropyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1(CCCOCc2ccccc2)CCCN1
InChIInChI=1S/C15H22N2O2/c16-14(18)15(8-4-10-17-15)9-5-11-19-12-13-6-2-1-3-7-13/h1-3,6-7,17H,4-5,8-12H2,(H2,16,18)
InChIKeyYTUJGIJLVZMPBG-UHFFFAOYSA-N
XLogP1.59
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-pyridin-3-ylpropyl)pyrrolidine-2-carboxamide;hydrochloride
CID 71298917
(2R)-2-(3-phenylpropyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 45026916
cyclopropyl-[2-(phenylmethoxymethyl)pyrrolidin-2-yl]methanone;ethane;propane
CID 170595415
ethyl 1-(3-phenylmethoxypropyl)cyclopentane-1-carboxylate
CID 142267765
[1-(3-phenylmethoxypropyl)cyclobutyl]methanol
CID 11264817
benzyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl]pyrrolidine-2-carboxylate
CID 153335198
methyl 4-(3-phenylmethoxypropyl)bicyclo[2.2.2]octane-1-carboxylate
CID 162401197
benzyl 2-[(E)-but-2-enyl]pyrrolidine-2-carboxylate
CID 139425827
ethyl 2-benzylpyrrolidine-2-carboxylate
CID 75525875
2-[1-(2-phenylmethoxyethyl)cyclopropyl]ethyl cyclobutanecarboxylate
CID 143322781
(2-benzylpyrrolidin-2-yl)-phenylmethanone
CID 594890
(2S)-2-methyl-2-(3-phenylmethoxypropyl)cyclohexan-1-one
CID 11379955

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylmethoxypropyl)pyrrolidine-2-carboxamide?
The IUPAC name of 2-(3-phenylmethoxypropyl)pyrrolidine-2-carboxamide (CID 173103378) is 2-(3-phenylmethoxypropyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-(3-phenylmethoxypropyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 2-(3-phenylmethoxypropyl)pyrrolidine-2-carboxamide is NC(=O)C1(CCCOCc2ccccc2)CCCN1.
What is the InChIKey of 2-(3-phenylmethoxypropyl)pyrrolidine-2-carboxamide?
The InChIKey is YTUJGIJLVZMPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c16-14(18)15(8-4-10-17-15)9-5-11-19-12-13-6-2-1-3-7-13/h1-3,6-7,17H,4-5,8-12H2,(H2,16,18).
What are the key properties of 2-(3-phenylmethoxypropyl)pyrrolidine-2-carboxamide?
2-(3-phenylmethoxypropyl)pyrrolidine-2-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylmethoxypropyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 173103378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).