4-hydroxy-N-[4-(propan-2-yloxymethyl)phenyl]pyrrolidine-2-carboxamide

C15H22N2O3 — CID 119742872

IUPAC4-hydroxy-N-[4-(propan-2-yloxymethyl)phenyl]pyrrolidine-2-carboxamide
SMILESCC(C)OCc1ccc(NC(=O)C2CC(O)CN2)cc1
InChIInChI=1S/C15H22N2O3/c1-10(2)20-9-11-3-5-12(6-4-11)17-15(19)14-7-13(18)8-16-14/h3-6,10,13-14,16,18H,7-9H2,1-2H3,(H,17,19)
InChIKeyMMQXDRIVZQAQII-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.27
Rot. Bonds5

About 4-hydroxy-N-[4-(propan-2-yloxymethyl)phenyl]pyrrolidine-2-carboxamide

4-hydroxy-N-[4-(propan-2-yloxymethyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 119742872) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-hydroxy-N-[4-(propan-2-yloxymethyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[4-(propan-2-yloxymethyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID119742872
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-hydroxy-N-[4-(propan-2-yloxymethyl)phenyl]pyrrolidine-2-carboxamide
SMILESCC(C)OCc1ccc(NC(=O)C2CC(O)CN2)cc1
InChIInChI=1S/C15H22N2O3/c1-10(2)20-9-11-3-5-12(6-4-11)17-15(19)14-7-13(18)8-16-14/h3-6,10,13-14,16,18H,7-9H2,1-2H3,(H,17,19)
InChIKeyMMQXDRIVZQAQII-UHFFFAOYSA-N
XLogP1.27
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(carbamoylamino)phenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43711133
4-hydroxy-N-[4-(3,3,3-trifluoropropyl)phenyl]pyrrolidine-2-carboxamide
CID 119808841
4-hydroxy-N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119701214
(2R,4S)-4-hydroxy-N-[[4-(methoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 125138978
N-[4-(3,5-dimethylphenoxy)phenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119741335
(2R,4R)-4-hydroxy-N-(4-nitrophenyl)pyrrolidine-2-carboxamide
CID 93044428
4-hydroxy-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119848523
4-hydroxy-N-[4-methyl-3-(3-methylbutoxy)phenyl]pyrrolidine-2-carboxamide
CID 119798718
N-[4-(cyclopropylcarbamoyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43703990
methyl 4-[(4-hydroxypyrrolidine-2-carbonyl)amino]-2-methylbenzoate
CID 119775407
4-hydroxy-N-[4-(2-phenylethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 119749178
4-hydroxy-N-(1-phenylmethoxypropan-2-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119804053

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[4-(propan-2-yloxymethyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-[4-(propan-2-yloxymethyl)phenyl]pyrrolidine-2-carboxamide (CID 119742872) is 4-hydroxy-N-[4-(propan-2-yloxymethyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[4-(propan-2-yloxymethyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-[4-(propan-2-yloxymethyl)phenyl]pyrrolidine-2-carboxamide is CC(C)OCc1ccc(NC(=O)C2CC(O)CN2)cc1.
What is the InChIKey of 4-hydroxy-N-[4-(propan-2-yloxymethyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is MMQXDRIVZQAQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10(2)20-9-11-3-5-12(6-4-11)17-15(19)14-7-13(18)8-16-14/h3-6,10,13-14,16,18H,7-9H2,1-2H3,(H,17,19).
What are the key properties of 4-hydroxy-N-[4-(propan-2-yloxymethyl)phenyl]pyrrolidine-2-carboxamide?
4-hydroxy-N-[4-(propan-2-yloxymethyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 1.27, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[4-(propan-2-yloxymethyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119742872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).