N-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-2-(3-chloro-4-hydroxyphenyl)acetamide

C17H23ClN2O3 — CID 125170885

IUPACN-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-2-(3-chloro-4-hydroxyphenyl)acetamide
SMILESCC(C)(C)N1C[C@H](CNC(=O)Cc2ccc(O)c(Cl)c2)CC1=O
InChIInChI=1S/C17H23ClN2O3/c1-17(2,3)20-10-12(8-16(20)23)9-19-15(22)7-11-4-5-14(21)13(18)6-11/h4-6,12,21H,7-10H2,1-3H3,(H,19,22)/t12-/m0/s1
InChIKeyYHJXVWZRFPHKFK-LBPRGKRZSA-N
MW338.84 g/mol
LogP2.35
Rot. Bonds4

About N-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-2-(3-chloro-4-hydroxyphenyl)acetamide

N-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-2-(3-chloro-4-hydroxyphenyl)acetamide (PubChem CID 125170885) has the molecular formula C17H23ClN2O3 and a molecular weight of 338.84 g/mol. Its IUPAC name is N-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-2-(3-chloro-4-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-2-(3-chloro-4-hydroxyphenyl)acetamide
PubChem CID125170885
Molecular FormulaC17H23ClN2O3
Molecular Weight338.84 g/mol
Exact Mass338.14
IUPAC NameN-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-2-(3-chloro-4-hydroxyphenyl)acetamide
SMILESCC(C)(C)N1C[C@H](CNC(=O)Cc2ccc(O)c(Cl)c2)CC1=O
InChIInChI=1S/C17H23ClN2O3/c1-17(2,3)20-10-12(8-16(20)23)9-19-15(22)7-11-4-5-14(21)13(18)6-11/h4-6,12,21H,7-10H2,1-3H3,(H,19,22)/t12-/m0/s1
InChIKeyYHJXVWZRFPHKFK-LBPRGKRZSA-N
XLogP2.35
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-2-(3-chloro-4-hydroxyphenyl)acetamide?
The IUPAC name of N-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-2-(3-chloro-4-hydroxyphenyl)acetamide (CID 125170885) is N-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-2-(3-chloro-4-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-2-(3-chloro-4-hydroxyphenyl)acetamide?
The canonical SMILES for N-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-2-(3-chloro-4-hydroxyphenyl)acetamide is CC(C)(C)N1C[C@H](CNC(=O)Cc2ccc(O)c(Cl)c2)CC1=O.
What is the InChIKey of N-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-2-(3-chloro-4-hydroxyphenyl)acetamide?
The InChIKey is YHJXVWZRFPHKFK-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H23ClN2O3/c1-17(2,3)20-10-12(8-16(20)23)9-19-15(22)7-11-4-5-14(21)13(18)6-11/h4-6,12,21H,7-10H2,1-3H3,(H,19,22)/t12-/m0/s1.
What are the key properties of N-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-2-(3-chloro-4-hydroxyphenyl)acetamide?
N-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-2-(3-chloro-4-hydroxyphenyl)acetamide has a molecular weight of 338.84 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-2-(3-chloro-4-hydroxyphenyl)acetamide is sourced from PubChem (CID 125170885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).