(3R)-3-hydroxy-N-[3-(3-phenylpropyl)phenyl]pyrrolidine-1-carboxamide

C20H24N2O2 — CID 111431591

IUPAC(3R)-3-hydroxy-N-[3-(3-phenylpropyl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc(CCCc2ccccc2)c1)N1CC[C@@H](O)C1
InChIInChI=1S/C20H24N2O2/c23-19-12-13-22(15-19)20(24)21-18-11-5-10-17(14-18)9-4-8-16-6-2-1-3-7-16/h1-3,5-7,10-11,14,19,23H,4,8-9,12-13,15H2,(H,21,24)/t19-/m1/s1
InChIKeyRBPWFYKNABOZMM-LJQANCHMSA-N
MW324.42 g/mol
LogP3.46
Rot. Bonds5

About (3R)-3-hydroxy-N-[3-(3-phenylpropyl)phenyl]pyrrolidine-1-carboxamide

(3R)-3-hydroxy-N-[3-(3-phenylpropyl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 111431591) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (3R)-3-hydroxy-N-[3-(3-phenylpropyl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-hydroxy-N-[3-(3-phenylpropyl)phenyl]pyrrolidine-1-carboxamide
PubChem CID111431591
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(3R)-3-hydroxy-N-[3-(3-phenylpropyl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc(CCCc2ccccc2)c1)N1CC[C@@H](O)C1
InChIInChI=1S/C20H24N2O2/c23-19-12-13-22(15-19)20(24)21-18-11-5-10-17(14-18)9-4-8-16-6-2-1-3-7-16/h1-3,5-7,10-11,14,19,23H,4,8-9,12-13,15H2,(H,21,24)/t19-/m1/s1
InChIKeyRBPWFYKNABOZMM-LJQANCHMSA-N
XLogP3.46
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-hydroxy-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 111431314
2-[3-[(3-hydroxypiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65345639
(3S)-N-[3-(cyclopentylsulfanylmethyl)phenyl]-3-hydroxypyrrolidine-1-carboxamide
CID 111475040
3-hydroxy-N-[3-(2-phenylethoxy)phenyl]piperidine-1-carboxamide
CID 110896856
N-(3-ethylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 47032364
N-[3-(butanoylamino)phenyl]-3-hydroxypyrrolidine-1-carboxamide
CID 156609246
(3S)-N-(1-benzylpyrazol-4-yl)-3-hydroxypyrrolidine-1-carboxamide
CID 111521201
3-hydroxy-N-[3-(methoxymethyl)phenyl]piperidine-1-carboxamide
CID 51080395
1-[[4-(3-phenylpropyl)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122078818
(3R)-3-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 63362733
(3R)-3-hydroxy-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyrrolidine-1-carboxamide
CID 111431403
N-(3-chlorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 17392993

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-N-[3-(3-phenylpropyl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-hydroxy-N-[3-(3-phenylpropyl)phenyl]pyrrolidine-1-carboxamide (CID 111431591) is (3R)-3-hydroxy-N-[3-(3-phenylpropyl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-hydroxy-N-[3-(3-phenylpropyl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-hydroxy-N-[3-(3-phenylpropyl)phenyl]pyrrolidine-1-carboxamide is O=C(Nc1cccc(CCCc2ccccc2)c1)N1CC[C@@H](O)C1.
What is the InChIKey of (3R)-3-hydroxy-N-[3-(3-phenylpropyl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is RBPWFYKNABOZMM-LJQANCHMSA-N. The full InChI is InChI=1S/C20H24N2O2/c23-19-12-13-22(15-19)20(24)21-18-11-5-10-17(14-18)9-4-8-16-6-2-1-3-7-16/h1-3,5-7,10-11,14,19,23H,4,8-9,12-13,15H2,(H,21,24)/t19-/m1/s1.
What are the key properties of (3R)-3-hydroxy-N-[3-(3-phenylpropyl)phenyl]pyrrolidine-1-carboxamide?
(3R)-3-hydroxy-N-[3-(3-phenylpropyl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 324.42 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-N-[3-(3-phenylpropyl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 111431591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).