(2R)-N-(4-ethoxy-3-methylphenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide

C17H26N2O3 — CID 97340327

IUPAC(2R)-N-(4-ethoxy-3-methylphenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCC[C@@H]2C(C)(C)O)cc1C
InChIInChI=1S/C17H26N2O3/c1-5-22-14-9-8-13(11-12(14)2)18-16(20)19-10-6-7-15(19)17(3,4)21/h8-9,11,15,21H,5-7,10H2,1-4H3,(H,18,20)/t15-/m1/s1
InChIKeyFTGSNBANOCFGQE-OAHLLOKOSA-N
MW306.41 g/mol
LogP3.16
Rot. Bonds4

About (2R)-N-(4-ethoxy-3-methylphenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide

(2R)-N-(4-ethoxy-3-methylphenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide (PubChem CID 97340327) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is (2R)-N-(4-ethoxy-3-methylphenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-ethoxy-3-methylphenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
PubChem CID97340327
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name(2R)-N-(4-ethoxy-3-methylphenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCC[C@@H]2C(C)(C)O)cc1C
InChIInChI=1S/C17H26N2O3/c1-5-22-14-9-8-13(11-12(14)2)18-16(20)19-10-6-7-15(19)17(3,4)21/h8-9,11,15,21H,5-7,10H2,1-4H3,(H,18,20)/t15-/m1/s1
InChIKeyFTGSNBANOCFGQE-OAHLLOKOSA-N
XLogP3.16
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethoxy-3-methylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 84600938
N-(4-ethoxy-3-methylphenyl)-3-(propanoylamino)piperidine-1-carboxamide
CID 56822388
(3R)-N-(4-ethoxy-3-methylphenyl)-3-(propanoylamino)piperidine-1-carboxamide
CID 95595316
(3S)-N-(4-ethoxy-3-methylphenyl)-3-(propanoylamino)piperidine-1-carboxamide
CID 95595317
(3R)-N-(4-ethoxy-3-methylphenyl)-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide
CID 95622514
N-(4-ethoxy-3-methylphenyl)morpholine-4-carboxamide
CID 47410728
4-(2,2-difluoroethyl)-N-(4-ethoxy-3-methylphenyl)piperazine-1-carboxamide
CID 49118117
2,2,2-trichloro-N-(4-ethoxy-3-methylphenyl)acetamide
CID 100689633
(2S)-2-cyclopropyl-N-(4-ethoxy-3-methylphenyl)-2-propoxypropanamide
CID 100718104
1-[(4-ethoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 23607540
1-(4-ethoxy-3-methylphenyl)-3-propan-2-ylurea
CID 47417327
(E)-N-(4-ethoxy-3-methylphenyl)-4,4-dimethylpent-2-enamide
CID 86950140

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-ethoxy-3-methylphenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-(4-ethoxy-3-methylphenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide (CID 97340327) is (2R)-N-(4-ethoxy-3-methylphenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(4-ethoxy-3-methylphenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-(4-ethoxy-3-methylphenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide is CCOc1ccc(NC(=O)N2CCC[C@@H]2C(C)(C)O)cc1C.
What is the InChIKey of (2R)-N-(4-ethoxy-3-methylphenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is FTGSNBANOCFGQE-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-5-22-14-9-8-13(11-12(14)2)18-16(20)19-10-6-7-15(19)17(3,4)21/h8-9,11,15,21H,5-7,10H2,1-4H3,(H,18,20)/t15-/m1/s1.
What are the key properties of (2R)-N-(4-ethoxy-3-methylphenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide?
(2R)-N-(4-ethoxy-3-methylphenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-ethoxy-3-methylphenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 97340327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).