3-(1-hydroxyethyl)-N-(3-phenoxyphenyl)pyrrolidine-1-carboxamide

C19H22N2O3 — CID 75503696

IUPAC3-(1-hydroxyethyl)-N-(3-phenoxyphenyl)pyrrolidine-1-carboxamide
SMILESCC(O)C1CCN(C(=O)Nc2cccc(Oc3ccccc3)c2)C1
InChIInChI=1S/C19H22N2O3/c1-14(22)15-10-11-21(13-15)19(23)20-16-6-5-9-18(12-16)24-17-7-3-2-4-8-17/h2-9,12,14-15,22H,10-11,13H2,1H3,(H,20,23)
InChIKeyJNNLLJCHMNTDNJ-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.71
Rot. Bonds4

About 3-(1-hydroxyethyl)-N-(3-phenoxyphenyl)pyrrolidine-1-carboxamide

3-(1-hydroxyethyl)-N-(3-phenoxyphenyl)pyrrolidine-1-carboxamide (PubChem CID 75503696) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-(1-hydroxyethyl)-N-(3-phenoxyphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(1-hydroxyethyl)-N-(3-phenoxyphenyl)pyrrolidine-1-carboxamide
PubChem CID75503696
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name3-(1-hydroxyethyl)-N-(3-phenoxyphenyl)pyrrolidine-1-carboxamide
SMILESCC(O)C1CCN(C(=O)Nc2cccc(Oc3ccccc3)c2)C1
InChIInChI=1S/C19H22N2O3/c1-14(22)15-10-11-21(13-15)19(23)20-16-6-5-9-18(12-16)24-17-7-3-2-4-8-17/h2-9,12,14-15,22H,10-11,13H2,1H3,(H,20,23)
InChIKeyJNNLLJCHMNTDNJ-UHFFFAOYSA-N
XLogP3.71
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-hydroxyethyl)-N-(3-phenoxyphenyl)piperidine-1-carboxamide
CID 111424875
(3S)-3-[(1R)-1-hydroxyethyl]-N-(3-phenoxyphenyl)piperidine-1-carboxamide
CID 97238064
(3R)-N-[4-(3-fluorophenoxy)phenyl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxamide
CID 97351371
N-(3-cyclopentyloxyphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111424820
3-(1-hydroxyethyl)-N-[(4-phenoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 75477203
2-ethyl-N-(3-phenoxyphenyl)morpholine-4-carboxamide
CID 75405540
3-(1-hydroxyethyl)-N-(2-phenylpyrimidin-5-yl)pyrrolidine-1-carboxamide
CID 136521775
N-(3-chlorophenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 103655893
4-cyclopropyl-4-hydroxy-N-(3-phenoxyphenyl)piperidine-1-carboxamide
CID 23071756
[3-(4-chlorophenoxy)phenyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023421
N-[3-(aminomethyl)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 106836739
N-(3-methoxyphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide
CID 3615404

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxyethyl)-N-(3-phenoxyphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(1-hydroxyethyl)-N-(3-phenoxyphenyl)pyrrolidine-1-carboxamide (CID 75503696) is 3-(1-hydroxyethyl)-N-(3-phenoxyphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(1-hydroxyethyl)-N-(3-phenoxyphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(1-hydroxyethyl)-N-(3-phenoxyphenyl)pyrrolidine-1-carboxamide is CC(O)C1CCN(C(=O)Nc2cccc(Oc3ccccc3)c2)C1.
What is the InChIKey of 3-(1-hydroxyethyl)-N-(3-phenoxyphenyl)pyrrolidine-1-carboxamide?
The InChIKey is JNNLLJCHMNTDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14(22)15-10-11-21(13-15)19(23)20-16-6-5-9-18(12-16)24-17-7-3-2-4-8-17/h2-9,12,14-15,22H,10-11,13H2,1H3,(H,20,23).
What are the key properties of 3-(1-hydroxyethyl)-N-(3-phenoxyphenyl)pyrrolidine-1-carboxamide?
3-(1-hydroxyethyl)-N-(3-phenoxyphenyl)pyrrolidine-1-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxyethyl)-N-(3-phenoxyphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 75503696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).