(3R)-3-hydroxy-N-[2-methyl-3-(propan-2-yloxymethyl)phenyl]pyrrolidine-1-carboxamide

C16H24N2O3 — CID 75482281

IUPAC(3R)-3-hydroxy-N-[2-methyl-3-(propan-2-yloxymethyl)phenyl]pyrrolidine-1-carboxamide
SMILESCc1c(COC(C)C)cccc1NC(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C16H24N2O3/c1-11(2)21-10-13-5-4-6-15(12(13)3)17-16(20)18-8-7-14(19)9-18/h4-6,11,14,19H,7-10H2,1-3H3,(H,17,20)/t14-/m1/s1
InChIKeyKDOKNJKVXBVZGM-CQSZACIVSA-N
MW292.38 g/mol
LogP2.52
Rot. Bonds4

About (3R)-3-hydroxy-N-[2-methyl-3-(propan-2-yloxymethyl)phenyl]pyrrolidine-1-carboxamide

(3R)-3-hydroxy-N-[2-methyl-3-(propan-2-yloxymethyl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 75482281) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (3R)-3-hydroxy-N-[2-methyl-3-(propan-2-yloxymethyl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-hydroxy-N-[2-methyl-3-(propan-2-yloxymethyl)phenyl]pyrrolidine-1-carboxamide
PubChem CID75482281
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name(3R)-3-hydroxy-N-[2-methyl-3-(propan-2-yloxymethyl)phenyl]pyrrolidine-1-carboxamide
SMILESCc1c(COC(C)C)cccc1NC(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C16H24N2O3/c1-11(2)21-10-13-5-4-6-15(12(13)3)17-16(20)18-8-7-14(19)9-18/h4-6,11,14,19H,7-10H2,1-3H3,(H,17,20)/t14-/m1/s1
InChIKeyKDOKNJKVXBVZGM-CQSZACIVSA-N
XLogP2.52
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cyclopropylpiperidin-4-yl)-3-[2-methyl-3-(propan-2-yloxymethyl)phenyl]urea
CID 71991924
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CID 99828844
N-[2-methyl-3-(propan-2-yloxymethyl)phenyl]spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide
CID 126773633
3-hydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 62918134
(3S)-3-hydroxy-N-[2-(methoxymethyl)phenyl]piperidine-1-carboxamide
CID 94081574
1-[2-methyl-3-(propan-2-yloxymethyl)phenyl]-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
CID 99632749
(3R)-N-(2,6-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111431144
N-(2-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 62917965
(3R)-3-hydroxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 78931972
(3S)-3-hydroxy-N-[2-(3-methylphenoxy)phenyl]pyrrolidine-1-carboxamide
CID 111473314
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-3-hydroxypyrrolidine-1-carboxamide
CID 75502903
(3R)-3-hydroxy-N-(2-methoxy-4-methylphenyl)pyrrolidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-N-[2-methyl-3-(propan-2-yloxymethyl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-hydroxy-N-[2-methyl-3-(propan-2-yloxymethyl)phenyl]pyrrolidine-1-carboxamide (CID 75482281) is (3R)-3-hydroxy-N-[2-methyl-3-(propan-2-yloxymethyl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-hydroxy-N-[2-methyl-3-(propan-2-yloxymethyl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-hydroxy-N-[2-methyl-3-(propan-2-yloxymethyl)phenyl]pyrrolidine-1-carboxamide is Cc1c(COC(C)C)cccc1NC(=O)N1CC[C@@H](O)C1.
What is the InChIKey of (3R)-3-hydroxy-N-[2-methyl-3-(propan-2-yloxymethyl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is KDOKNJKVXBVZGM-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11(2)21-10-13-5-4-6-15(12(13)3)17-16(20)18-8-7-14(19)9-18/h4-6,11,14,19H,7-10H2,1-3H3,(H,17,20)/t14-/m1/s1.
What are the key properties of (3R)-3-hydroxy-N-[2-methyl-3-(propan-2-yloxymethyl)phenyl]pyrrolidine-1-carboxamide?
(3R)-3-hydroxy-N-[2-methyl-3-(propan-2-yloxymethyl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-N-[2-methyl-3-(propan-2-yloxymethyl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 75482281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).