3-(hydroxymethyl)-N-[4-(phenylmethoxymethyl)phenyl]pyrrolidine-1-carboxamide

C20H24N2O3 — CID 111475189

IUPAC3-(hydroxymethyl)-N-[4-(phenylmethoxymethyl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(COCc2ccccc2)cc1)N1CCC(CO)C1
InChIInChI=1S/C20H24N2O3/c23-13-18-10-11-22(12-18)20(24)21-19-8-6-17(7-9-19)15-25-14-16-4-2-1-3-5-16/h1-9,18,23H,10-15H2,(H,21,24)
InChIKeyMJHUFFSZMRZNLT-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.25
Rot. Bonds6

About 3-(hydroxymethyl)-N-[4-(phenylmethoxymethyl)phenyl]pyrrolidine-1-carboxamide

3-(hydroxymethyl)-N-[4-(phenylmethoxymethyl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 111475189) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-[4-(phenylmethoxymethyl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-[4-(phenylmethoxymethyl)phenyl]pyrrolidine-1-carboxamide
PubChem CID111475189
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name3-(hydroxymethyl)-N-[4-(phenylmethoxymethyl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(COCc2ccccc2)cc1)N1CCC(CO)C1
InChIInChI=1S/C20H24N2O3/c23-13-18-10-11-22(12-18)20(24)21-19-8-6-17(7-9-19)15-25-14-16-4-2-1-3-5-16/h1-9,18,23H,10-15H2,(H,21,24)
InChIKeyMJHUFFSZMRZNLT-UHFFFAOYSA-N
XLogP3.25
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(hydroxymethyl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 62372910
4-(hydroxymethyl)-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 111486727
N-(4-methylphenyl)-3-(phenylmethoxymethyl)piperidine-1-carboxamide
CID 90505534
2-[4-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]phenyl]acetic acid
CID 61200700
(3S)-N-(4-cyclobutylphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 125139496
3-(hydroxymethyl)-N-(4-methyl-2-phenylmethoxyphenyl)pyrrolidine-1-carboxamide
CID 111443143
4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-N-(4-phenylphenyl)acetamide
CID 111798598
N-(1-ethylpyrazol-4-yl)-3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide
CID 71994452
4-benzyl-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 108867010
N-(2-methyl-6-methylsulfinylphenyl)-3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide
CID 102562767
(3R)-3-amino-N-phenylpyrrolidine-1-carboxamide
CID 94340040

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-[4-(phenylmethoxymethyl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-[4-(phenylmethoxymethyl)phenyl]pyrrolidine-1-carboxamide (CID 111475189) is 3-(hydroxymethyl)-N-[4-(phenylmethoxymethyl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-[4-(phenylmethoxymethyl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-[4-(phenylmethoxymethyl)phenyl]pyrrolidine-1-carboxamide is O=C(Nc1ccc(COCc2ccccc2)cc1)N1CCC(CO)C1.
What is the InChIKey of 3-(hydroxymethyl)-N-[4-(phenylmethoxymethyl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is MJHUFFSZMRZNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c23-13-18-10-11-22(12-18)20(24)21-19-8-6-17(7-9-19)15-25-14-16-4-2-1-3-5-16/h1-9,18,23H,10-15H2,(H,21,24).
What are the key properties of 3-(hydroxymethyl)-N-[4-(phenylmethoxymethyl)phenyl]pyrrolidine-1-carboxamide?
3-(hydroxymethyl)-N-[4-(phenylmethoxymethyl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-[4-(phenylmethoxymethyl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 111475189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).