(3R)-3-hydroxy-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pyrrolidine-1-carboxamide

C20H24N2O3 — CID 111431674

IUPAC(3R)-3-hydroxy-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pyrrolidine-1-carboxamide
SMILESCc1cccc(COc2ccc(NC(=O)N3CC[C@@H](O)C3)c(C)c2)c1
InChIInChI=1S/C20H24N2O3/c1-14-4-3-5-16(10-14)13-25-18-6-7-19(15(2)11-18)21-20(24)22-9-8-17(23)12-22/h3-7,10-11,17,23H,8-9,12-13H2,1-2H3,(H,21,24)/t17-/m1/s1
InChIKeyYWJVKKQBCXIFIF-QGZVFWFLSA-N
MW340.42 g/mol
LogP3.48
Rot. Bonds4

About (3R)-3-hydroxy-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pyrrolidine-1-carboxamide

(3R)-3-hydroxy-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pyrrolidine-1-carboxamide (PubChem CID 111431674) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is (3R)-3-hydroxy-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-hydroxy-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pyrrolidine-1-carboxamide
PubChem CID111431674
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name(3R)-3-hydroxy-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pyrrolidine-1-carboxamide
SMILESCc1cccc(COc2ccc(NC(=O)N3CC[C@@H](O)C3)c(C)c2)c1
InChIInChI=1S/C20H24N2O3/c1-14-4-3-5-16(10-14)13-25-18-6-7-19(15(2)11-18)21-20(24)22-9-8-17(23)12-22/h3-7,10-11,17,23H,8-9,12-13H2,1-2H3,(H,21,24)/t17-/m1/s1
InChIKeyYWJVKKQBCXIFIF-QGZVFWFLSA-N
XLogP3.48
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673483
4-amino-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pentanamide;hydrochloride
CID 120562273
2-amino-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pentanamide
CID 119318002
(3S)-3-hydroxy-N-[2-(3-methylphenoxy)phenyl]pyrrolidine-1-carboxamide
CID 111473314
3-hydroxy-N-[4-(3-methylphenoxy)phenyl]pyrrolidine-1-carboxamide
CID 75502896
(3R)-3-hydroxy-N-(2-methoxy-4-methylphenyl)pyrrolidine-1-carboxamide
CID 111431556
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(3-methylphenyl)ethanone
CID 66291636
(E)-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]-3-pyridin-4-ylprop-2-enamide
CID 166196615
1-[(2R)-1-hydroxypropan-2-yl]-1-methyl-3-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]urea
CID 131963954
(E)-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]-3-(1,3-thiazol-5-yl)prop-2-enamide
CID 166232048
3-methyl-N-(4-methyl-2-phenylmethoxyphenyl)pyrrolidine-1-carboxamide
CID 86877135
N-(2-methyl-4-phenylmethoxyphenyl)-4-propyl-1,4-diazepane-1-carboxamide
CID 86967276

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-hydroxy-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pyrrolidine-1-carboxamide (CID 111431674) is (3R)-3-hydroxy-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-hydroxy-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-hydroxy-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pyrrolidine-1-carboxamide is Cc1cccc(COc2ccc(NC(=O)N3CC[C@@H](O)C3)c(C)c2)c1.
What is the InChIKey of (3R)-3-hydroxy-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pyrrolidine-1-carboxamide?
The InChIKey is YWJVKKQBCXIFIF-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14-4-3-5-16(10-14)13-25-18-6-7-19(15(2)11-18)21-20(24)22-9-8-17(23)12-22/h3-7,10-11,17,23H,8-9,12-13H2,1-2H3,(H,21,24)/t17-/m1/s1.
What are the key properties of (3R)-3-hydroxy-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pyrrolidine-1-carboxamide?
(3R)-3-hydroxy-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pyrrolidine-1-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 3.48, 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-4-[(3-methylphenyl)methoxy]phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 111431674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).