4-hydroxy-N-[3-(propylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride

C15H22ClN3O3 — CID 119712065

IUPAC4-hydroxy-N-[3-(propylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCCCNC(=O)c1cccc(NC(=O)C2CC(O)CN2)c1.Cl
InChIInChI=1S/C15H21N3O3.ClH/c1-2-6-16-14(20)10-4-3-5-11(7-10)18-15(21)13-8-12(19)9-17-13;/h3-5,7,12-13,17,19H,2,6,8-9H2,1H3,(H,16,20)(H,18,21);1H
InChIKeyICVRQODUUNAXTI-UHFFFAOYSA-N
MW327.81 g/mol
LogP0.91
Rot. Bonds5

About 4-hydroxy-N-[3-(propylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride

4-hydroxy-N-[3-(propylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119712065) has the molecular formula C15H22ClN3O3 and a molecular weight of 327.81 g/mol. Its IUPAC name is 4-hydroxy-N-[3-(propylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-hydroxy-N-[3-(propylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119712065
Molecular FormulaC15H22ClN3O3
Molecular Weight327.81 g/mol
Exact Mass327.13
IUPAC Name4-hydroxy-N-[3-(propylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCCCNC(=O)c1cccc(NC(=O)C2CC(O)CN2)c1.Cl
InChIInChI=1S/C15H21N3O3.ClH/c1-2-6-16-14(20)10-4-3-5-11(7-10)18-15(21)13-8-12(19)9-17-13;/h3-5,7,12-13,17,19H,2,6,8-9H2,1H3,(H,16,20)(H,18,21);1H
InChIKeyICVRQODUUNAXTI-UHFFFAOYSA-N
XLogP0.91
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 50.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[3-(propylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119712064
(2R)-N-[3-(propylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119712042
N-[3-[(3-bromobenzoyl)amino]propyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119763894
4-methyl-N-[3-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 63713940
N-(3-bromophenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43120817
N-[3-(propylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119283131
4-hydroxy-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119670498
4-hydroxy-N-(3-iodophenyl)pyrrolidine-2-carboxamide
CID 43124625
4-hydroxy-N-[4-(2-phenylethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 119749178
4-hydroxy-N-(3-nitrophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119670749
3-[(2-aminoacetyl)amino]-N-propylbenzamide;hydrochloride
CID 119283116
3-[(3,5-dimethylcyclohexyl)amino]-N-propylbenzamide
CID 64752912

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[3-(propylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of 4-hydroxy-N-[3-(propylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119712065) is 4-hydroxy-N-[3-(propylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-hydroxy-N-[3-(propylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for 4-hydroxy-N-[3-(propylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride is CCCNC(=O)c1cccc(NC(=O)C2CC(O)CN2)c1.Cl.
What is the InChIKey of 4-hydroxy-N-[3-(propylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is ICVRQODUUNAXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3.ClH/c1-2-6-16-14(20)10-4-3-5-11(7-10)18-15(21)13-8-12(19)9-17-13;/h3-5,7,12-13,17,19H,2,6,8-9H2,1H3,(H,16,20)(H,18,21);1H.
What are the key properties of 4-hydroxy-N-[3-(propylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
4-hydroxy-N-[3-(propylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 327.81 g/mol, XLogP of 0.91, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[3-(propylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119712065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).