3-(1-hydroxyethyl)-N-[(4-phenoxyphenyl)methyl]pyrrolidine-1-carboxamide

C20H24N2O3 — CID 75477203

IUPAC3-(1-hydroxyethyl)-N-[(4-phenoxyphenyl)methyl]pyrrolidine-1-carboxamide
SMILESCC(O)C1CCN(C(=O)NCc2ccc(Oc3ccccc3)cc2)C1
InChIInChI=1S/C20H24N2O3/c1-15(23)17-11-12-22(14-17)20(24)21-13-16-7-9-19(10-8-16)25-18-5-3-2-4-6-18/h2-10,15,17,23H,11-14H2,1H3,(H,21,24)
InChIKeyDTTFWVLBSLXTOY-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.39
Rot. Bonds5

About 3-(1-hydroxyethyl)-N-[(4-phenoxyphenyl)methyl]pyrrolidine-1-carboxamide

3-(1-hydroxyethyl)-N-[(4-phenoxyphenyl)methyl]pyrrolidine-1-carboxamide (PubChem CID 75477203) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3-(1-hydroxyethyl)-N-[(4-phenoxyphenyl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(1-hydroxyethyl)-N-[(4-phenoxyphenyl)methyl]pyrrolidine-1-carboxamide
PubChem CID75477203
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name3-(1-hydroxyethyl)-N-[(4-phenoxyphenyl)methyl]pyrrolidine-1-carboxamide
SMILESCC(O)C1CCN(C(=O)NCc2ccc(Oc3ccccc3)cc2)C1
InChIInChI=1S/C20H24N2O3/c1-15(23)17-11-12-22(14-17)20(24)21-13-16-7-9-19(10-8-16)25-18-5-3-2-4-6-18/h2-10,15,17,23H,11-14H2,1H3,(H,21,24)
InChIKeyDTTFWVLBSLXTOY-UHFFFAOYSA-N
XLogP3.39
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-hydroxyethyl)-N-(3-phenoxyphenyl)pyrrolidine-1-carboxamide
CID 75503696
N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide
CID 86788732
3-(hydroxymethyl)-N-[(4-phenoxyphenyl)methyl]piperidine-1-carboxamide
CID 110922235
N-[(3-cyclopentyloxyphenyl)methyl]-3-(1-hydroxyethyl)piperidine-1-carboxamide
CID 84591482
(3R)-N-[4-(3-fluorophenoxy)phenyl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxamide
CID 97351371
N-benzyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 112628516
4-(1-hydroxyethyl)-N-(3-phenoxyphenyl)piperidine-1-carboxamide
CID 111424875
(3S)-3-[(1R)-1-hydroxyethyl]-N-(3-phenoxyphenyl)piperidine-1-carboxamide
CID 97238064
N-benzyl-3-methoxypyrrolidine-1-carboxamide
CID 107653241
2-[1-[(4-ethylphenyl)methylcarbamoyl]azetidin-3-yl]propanoic acid
CID 106900508
N-benzyl-4-methylpiperidine-1-carboxamide
CID 18715459
2-[(3R)-3-[(1R)-1-hydroxyethyl]pyrrolidin-1-yl]-2-oxo-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 124878067

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxyethyl)-N-[(4-phenoxyphenyl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(1-hydroxyethyl)-N-[(4-phenoxyphenyl)methyl]pyrrolidine-1-carboxamide (CID 75477203) is 3-(1-hydroxyethyl)-N-[(4-phenoxyphenyl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(1-hydroxyethyl)-N-[(4-phenoxyphenyl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(1-hydroxyethyl)-N-[(4-phenoxyphenyl)methyl]pyrrolidine-1-carboxamide is CC(O)C1CCN(C(=O)NCc2ccc(Oc3ccccc3)cc2)C1.
What is the InChIKey of 3-(1-hydroxyethyl)-N-[(4-phenoxyphenyl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is DTTFWVLBSLXTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15(23)17-11-12-22(14-17)20(24)21-13-16-7-9-19(10-8-16)25-18-5-3-2-4-6-18/h2-10,15,17,23H,11-14H2,1H3,(H,21,24).
What are the key properties of 3-(1-hydroxyethyl)-N-[(4-phenoxyphenyl)methyl]pyrrolidine-1-carboxamide?
3-(1-hydroxyethyl)-N-[(4-phenoxyphenyl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxyethyl)-N-[(4-phenoxyphenyl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 75477203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).