N-[4-(3,5-dimethylphenoxy)phenyl]-4-hydroxypyrrolidine-2-carboxamide

C19H22N2O3 — CID 119741335

IUPACN-[4-(3,5-dimethylphenoxy)phenyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCc1cc(C)cc(Oc2ccc(NC(=O)C3CC(O)CN3)cc2)c1
InChIInChI=1S/C19H22N2O3/c1-12-7-13(2)9-17(8-12)24-16-5-3-14(4-6-16)21-19(23)18-10-15(22)11-20-18/h3-9,15,18,20,22H,10-11H2,1-2H3,(H,21,23)
InChIKeyROOLZILSSGTWJG-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.76
Rot. Bonds4

About N-[4-(3,5-dimethylphenoxy)phenyl]-4-hydroxypyrrolidine-2-carboxamide

N-[4-(3,5-dimethylphenoxy)phenyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 119741335) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[4-(3,5-dimethylphenoxy)phenyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethylphenoxy)phenyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID119741335
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[4-(3,5-dimethylphenoxy)phenyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCc1cc(C)cc(Oc2ccc(NC(=O)C3CC(O)CN3)cc2)c1
InChIInChI=1S/C19H22N2O3/c1-12-7-13(2)9-17(8-12)24-16-5-3-14(4-6-16)21-19(23)18-10-15(22)11-20-18/h3-9,15,18,20,22H,10-11H2,1-2H3,(H,21,23)
InChIKeyROOLZILSSGTWJG-UHFFFAOYSA-N
XLogP2.76
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(carbamoylamino)phenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43711133
methyl 4-[(4-hydroxypyrrolidine-2-carbonyl)amino]-2-methylbenzoate
CID 119775407
N-[2-(3,5-dimethylphenoxy)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119746756
4-hydroxy-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119670498
N-[4-(cyclopropylcarbamoyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43703990
N-(4-acetamido-3-chlorophenyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119700281
4-hydroxy-N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119709484
4-hydroxy-N-[4-(propan-2-yloxymethyl)phenyl]pyrrolidine-2-carboxamide
CID 119742872
N-(2,4-dimethylphenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43120810
(2R,4R)-4-hydroxy-N-(4-nitrophenyl)pyrrolidine-2-carboxamide
CID 93044428
N-(2,5-dimethylphenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43120806
(1S,6R)-6-[[4-(3,5-dimethylphenoxy)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate
CID 7298117

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethylphenoxy)phenyl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of N-[4-(3,5-dimethylphenoxy)phenyl]-4-hydroxypyrrolidine-2-carboxamide (CID 119741335) is N-[4-(3,5-dimethylphenoxy)phenyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-(3,5-dimethylphenoxy)phenyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-(3,5-dimethylphenoxy)phenyl]-4-hydroxypyrrolidine-2-carboxamide is Cc1cc(C)cc(Oc2ccc(NC(=O)C3CC(O)CN3)cc2)c1.
What is the InChIKey of N-[4-(3,5-dimethylphenoxy)phenyl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is ROOLZILSSGTWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-12-7-13(2)9-17(8-12)24-16-5-3-14(4-6-16)21-19(23)18-10-15(22)11-20-18/h3-9,15,18,20,22H,10-11H2,1-2H3,(H,21,23).
What are the key properties of N-[4-(3,5-dimethylphenoxy)phenyl]-4-hydroxypyrrolidine-2-carboxamide?
N-[4-(3,5-dimethylphenoxy)phenyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethylphenoxy)phenyl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 119741335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).