2-[4-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidine-1-carbonyl]phenoxy]acetamide

C16H22N2O4 — CID 72852968

IUPAC2-[4-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidine-1-carbonyl]phenoxy]acetamide
SMILESCC1(C)CN(C(=O)c2ccc(OCC(N)=O)cc2)C[C@]1(C)O
InChIInChI=1S/C16H22N2O4/c1-15(2)9-18(10-16(15,3)21)14(20)11-4-6-12(7-5-11)22-8-13(17)19/h4-7,21H,8-10H2,1-3H3,(H2,17,19)/t16-/m0/s1
InChIKeyCIQBENLLPLAWNT-INIZCTEOSA-N
MW306.36 g/mol
LogP0.78
Rot. Bonds4

About 2-[4-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidine-1-carbonyl]phenoxy]acetamide

2-[4-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidine-1-carbonyl]phenoxy]acetamide (PubChem CID 72852968) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-[4-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidine-1-carbonyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidine-1-carbonyl]phenoxy]acetamide
PubChem CID72852968
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name2-[4-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidine-1-carbonyl]phenoxy]acetamide
SMILESCC1(C)CN(C(=O)c2ccc(OCC(N)=O)cc2)C[C@]1(C)O
InChIInChI=1S/C16H22N2O4/c1-15(2)9-18(10-16(15,3)21)14(20)11-4-6-12(7-5-11)22-8-13(17)19/h4-7,21H,8-10H2,1-3H3,(H2,17,19)/t16-/m0/s1
InChIKeyCIQBENLLPLAWNT-INIZCTEOSA-N
XLogP0.78
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[4-(methoxymethyl)piperidine-1-carbonyl]phenoxy]acetamide
CID 119129466
[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 72922431
2-[4-(4-phenylpiperazine-1-carbonyl)phenoxy]acetamide
CID 27671794
(3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)-[4-(pyridin-2-ylsulfanylmethyl)phenyl]methanone
CID 70776071
(4-aminophenyl)-(3,3,4,4-tetramethylpyrrolidin-1-yl)methanone
CID 152910434
2-[4-[3-(2-methylpropoxy)pyrrolidine-1-carbonyl]phenoxy]acetamide
CID 119163704
methyl 1-[4-(2-amino-2-oxoethoxy)benzoyl]piperidine-3-carboxylate
CID 119109496
2-(4-butoxyphenoxy)acetamide
CID 22974475
2-[4-[2-(hydroxymethyl)morpholine-4-carbonyl]phenoxy]acetamide
CID 81197417
2-[4-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]phenoxy]acetamide
CID 17409629
2-[4-(4-phenylmethoxypiperidine-1-carbonyl)phenoxy]acetamide
CID 51278709
2-[4-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]phenoxy]acetamide
CID 24503636

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidine-1-carbonyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidine-1-carbonyl]phenoxy]acetamide (CID 72852968) is 2-[4-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidine-1-carbonyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidine-1-carbonyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidine-1-carbonyl]phenoxy]acetamide is CC1(C)CN(C(=O)c2ccc(OCC(N)=O)cc2)C[C@]1(C)O.
What is the InChIKey of 2-[4-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidine-1-carbonyl]phenoxy]acetamide?
The InChIKey is CIQBENLLPLAWNT-INIZCTEOSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-15(2)9-18(10-16(15,3)21)14(20)11-4-6-12(7-5-11)22-8-13(17)19/h4-7,21H,8-10H2,1-3H3,(H2,17,19)/t16-/m0/s1.
What are the key properties of 2-[4-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidine-1-carbonyl]phenoxy]acetamide?
2-[4-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidine-1-carbonyl]phenoxy]acetamide has a molecular weight of 306.36 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidine-1-carbonyl]phenoxy]acetamide is sourced from PubChem (CID 72852968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).