N-[2-(4-tert-butylphenyl)ethyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide

C19H30N2O2 — CID 110921406

IUPACN-[2-(4-tert-butylphenyl)ethyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
SMILESCC(C)(C)c1ccc(CCNC(=O)CN2CCC[C@@H]2CO)cc1
InChIInChI=1S/C19H30N2O2/c1-19(2,3)16-8-6-15(7-9-16)10-11-20-18(23)13-21-12-4-5-17(21)14-22/h6-9,17,22H,4-5,10-14H2,1-3H3,(H,20,23)/t17-/m1/s1
InChIKeyKSECBHVHZVYYGB-QGZVFWFLSA-N
MW318.46 g/mol
LogP2.10
Rot. Bonds6

About N-[2-(4-tert-butylphenyl)ethyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide

N-[2-(4-tert-butylphenyl)ethyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide (PubChem CID 110921406) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)ethyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenyl)ethyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
PubChem CID110921406
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-[2-(4-tert-butylphenyl)ethyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
SMILESCC(C)(C)c1ccc(CCNC(=O)CN2CCC[C@@H]2CO)cc1
InChIInChI=1S/C19H30N2O2/c1-19(2,3)16-8-6-15(7-9-16)10-11-20-18(23)13-21-12-4-5-17(21)14-22/h6-9,17,22H,4-5,10-14H2,1-3H3,(H,20,23)/t17-/m1/s1
InChIKeyKSECBHVHZVYYGB-QGZVFWFLSA-N
XLogP2.10
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62047041
N-[2-(4-tert-butylphenyl)ethyl]-2-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]acetamide
CID 128983572
N-[2-(3-chlorophenyl)ethyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62734415
N-[2-(4-tert-butylphenyl)ethyl]-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 119919792
[(2S)-1-[(4-tert-butylphenyl)methyl]pyrrolidin-2-yl]methanol
CID 42127618
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide
CID 110921401
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide
CID 110921460
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684654
2-[2-(hydroxymethyl)azepan-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 116637722
N-[2-(4-chlorophenyl)ethyl]-2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetamide
CID 86850390
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 62014539
N-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]-2-phenylacetamide
CID 66260986

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenyl)ethyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-[2-(4-tert-butylphenyl)ethyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide (CID 110921406) is N-[2-(4-tert-butylphenyl)ethyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[2-(4-tert-butylphenyl)ethyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[2-(4-tert-butylphenyl)ethyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide is CC(C)(C)c1ccc(CCNC(=O)CN2CCC[C@@H]2CO)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenyl)ethyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is KSECBHVHZVYYGB-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-19(2,3)16-8-6-15(7-9-16)10-11-20-18(23)13-21-12-4-5-17(21)14-22/h6-9,17,22H,4-5,10-14H2,1-3H3,(H,20,23)/t17-/m1/s1.
What are the key properties of N-[2-(4-tert-butylphenyl)ethyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
N-[2-(4-tert-butylphenyl)ethyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 318.46 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenyl)ethyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 110921406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).