4-hydroxy-N-(1-phenylmethoxypropan-2-yl)pyrrolidine-2-carboxamide;hydrochloride

C15H23ClN2O3 — CID 119804053

IUPAC4-hydroxy-N-(1-phenylmethoxypropan-2-yl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(COCc1ccccc1)NC(=O)C1CC(O)CN1.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-11(9-20-10-12-5-3-2-4-6-12)17-15(19)14-7-13(18)8-16-14;/h2-6,11,13-14,16,18H,7-10H2,1H3,(H,17,19);1H
InChIKeyDBRFIXHNZXVWPJ-UHFFFAOYSA-N
MW314.81 g/mol
LogP0.85
Rot. Bonds6

About 4-hydroxy-N-(1-phenylmethoxypropan-2-yl)pyrrolidine-2-carboxamide;hydrochloride

4-hydroxy-N-(1-phenylmethoxypropan-2-yl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119804053) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is 4-hydroxy-N-(1-phenylmethoxypropan-2-yl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-hydroxy-N-(1-phenylmethoxypropan-2-yl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119804053
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name4-hydroxy-N-(1-phenylmethoxypropan-2-yl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(COCc1ccccc1)NC(=O)C1CC(O)CN1.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-11(9-20-10-12-5-3-2-4-6-12)17-15(19)14-7-13(18)8-16-14;/h2-6,11,13-14,16,18H,7-10H2,1H3,(H,17,19);1H
InChIKeyDBRFIXHNZXVWPJ-UHFFFAOYSA-N
XLogP0.85
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-(4-phenylbutan-2-yl)pyrrolidine-2-carboxamide
CID 61254438
4-hydroxy-N-(2-phenylmethoxyethyl)pyrrolidine-2-carboxamide
CID 119770161
4-hydroxy-N-(4-phenylmethoxybutyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119763509
N-(1-phenylmethoxypropan-2-yl)piperidine-3-carboxamide
CID 119335297
(2R,4S)-N-butan-2-yl-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 130719317
(2R,4R)-N-[(2R)-1-(3-bromophenyl)propan-2-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 125138536
(2S,4R)-N-benzyl-4-hydroxypyrrolidine-2-carboxamide
CID 15482052
2-amino-N-(1-phenylmethoxypropan-2-yl)acetamide
CID 119335277
(2S)-2-amino-N-(1-phenylmethoxypropan-2-yl)propanamide;hydrochloride
CID 119335271
2-(methylamino)-N-(1-phenylmethoxypropan-2-yl)acetamide;hydrochloride
CID 119804051
4-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidine-2-carboxamide
CID 114010288
(2S,4S)-4-hydroxy-N-[(2R)-1-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrrolidine-2-carboxamide
CID 125152598

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(1-phenylmethoxypropan-2-yl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of 4-hydroxy-N-(1-phenylmethoxypropan-2-yl)pyrrolidine-2-carboxamide;hydrochloride (CID 119804053) is 4-hydroxy-N-(1-phenylmethoxypropan-2-yl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-hydroxy-N-(1-phenylmethoxypropan-2-yl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for 4-hydroxy-N-(1-phenylmethoxypropan-2-yl)pyrrolidine-2-carboxamide;hydrochloride is CC(COCc1ccccc1)NC(=O)C1CC(O)CN1.Cl.
What is the InChIKey of 4-hydroxy-N-(1-phenylmethoxypropan-2-yl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is DBRFIXHNZXVWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3.ClH/c1-11(9-20-10-12-5-3-2-4-6-12)17-15(19)14-7-13(18)8-16-14;/h2-6,11,13-14,16,18H,7-10H2,1H3,(H,17,19);1H.
What are the key properties of 4-hydroxy-N-(1-phenylmethoxypropan-2-yl)pyrrolidine-2-carboxamide;hydrochloride?
4-hydroxy-N-(1-phenylmethoxypropan-2-yl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 314.81 g/mol, XLogP of 0.85, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(1-phenylmethoxypropan-2-yl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119804053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).