N-[(2R)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-[(2R)-2-methylpyrrolidin-1-yl]acetamide

C18H28N2O3 — CID 97092465

IUPACN-[(2R)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-[(2R)-2-methylpyrrolidin-1-yl]acetamide
SMILESCC(C)Oc1ccc([C@@H](O)CNC(=O)CN2CCC[C@H]2C)cc1
InChIInChI=1S/C18H28N2O3/c1-13(2)23-16-8-6-15(7-9-16)17(21)11-19-18(22)12-20-10-4-5-14(20)3/h6-9,13-14,17,21H,4-5,10-12H2,1-3H3,(H,19,22)/t14-,17+/m1/s1
InChIKeyZVLHZHHWEIBEHO-PBHICJAKSA-N
MW320.43 g/mol
LogP2.11
Rot. Bonds7

About N-[(2R)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-[(2R)-2-methylpyrrolidin-1-yl]acetamide

N-[(2R)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-[(2R)-2-methylpyrrolidin-1-yl]acetamide (PubChem CID 97092465) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-[(2R)-2-methylpyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-[(2R)-2-methylpyrrolidin-1-yl]acetamide
PubChem CID97092465
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-[(2R)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-[(2R)-2-methylpyrrolidin-1-yl]acetamide
SMILESCC(C)Oc1ccc([C@@H](O)CNC(=O)CN2CCC[C@H]2C)cc1
InChIInChI=1S/C18H28N2O3/c1-13(2)23-16-8-6-15(7-9-16)17(21)11-19-18(22)12-20-10-4-5-14(20)3/h6-9,13-14,17,21H,4-5,10-12H2,1-3H3,(H,19,22)/t14-,17+/m1/s1
InChIKeyZVLHZHHWEIBEHO-PBHICJAKSA-N
XLogP2.11
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide;hydrochloride
CID 119328681
N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939440
N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]cyclopent-3-ene-1-carboxamide
CID 111450791
N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 71917271
N-[4-(difluoromethoxy)phenyl]-2-(2-methylpiperidin-1-yl)acetamide
CID 4818615
N-(2-hydroxy-2-phenylethyl)-4-[3-(2-methylpyrrolidin-1-yl)propoxy]benzamide
CID 91007127
(2R)-2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride
CID 119328695
N-[(4-methoxyphenyl)methyl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583381
2-(2,4-dimethylpiperazin-1-yl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 71877575
2-[(2S)-2-methylpiperidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 8583231
2-(3-chlorophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 111422677
2-[[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid
CID 82314145

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-[(2R)-2-methylpyrrolidin-1-yl]acetamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-[(2R)-2-methylpyrrolidin-1-yl]acetamide (CID 97092465) is N-[(2R)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-[(2R)-2-methylpyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-[(2R)-2-methylpyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-[(2R)-2-methylpyrrolidin-1-yl]acetamide is CC(C)Oc1ccc([C@@H](O)CNC(=O)CN2CCC[C@H]2C)cc1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-[(2R)-2-methylpyrrolidin-1-yl]acetamide?
The InChIKey is ZVLHZHHWEIBEHO-PBHICJAKSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-13(2)23-16-8-6-15(7-9-16)17(21)11-19-18(22)12-20-10-4-5-14(20)3/h6-9,13-14,17,21H,4-5,10-12H2,1-3H3,(H,19,22)/t14-,17+/m1/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-[(2R)-2-methylpyrrolidin-1-yl]acetamide?
N-[(2R)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-[(2R)-2-methylpyrrolidin-1-yl]acetamide has a molecular weight of 320.43 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-[(2R)-2-methylpyrrolidin-1-yl]acetamide is sourced from PubChem (CID 97092465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).