N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2-(2,4,6-trimethylphenyl)acetamide

C21H26N2O2 — CID 135103473

IUPACN-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(CC(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)c(C)c1
InChIInChI=1S/C21H26N2O2/c1-14-8-15(2)19(16(3)9-14)11-21(24)23-20-13-25-12-18(20)10-17-4-6-22-7-5-17/h4-9,18,20H,10-13H2,1-3H3,(H,23,24)/t18-,20-/m1/s1
InChIKeyDGFQNTMOEFZXCE-UYAOXDASSA-N
MW338.45 g/mol
LogP2.92
Rot. Bonds5

About N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2-(2,4,6-trimethylphenyl)acetamide

N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2-(2,4,6-trimethylphenyl)acetamide (PubChem CID 135103473) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2-(2,4,6-trimethylphenyl)acetamide
PubChem CID135103473
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(CC(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)c(C)c1
InChIInChI=1S/C21H26N2O2/c1-14-8-15(2)19(16(3)9-14)11-21(24)23-20-13-25-12-18(20)10-17-4-6-22-7-5-17/h4-9,18,20H,10-13H2,1-3H3,(H,23,24)/t18-,20-/m1/s1
InChIKeyDGFQNTMOEFZXCE-UYAOXDASSA-N
XLogP2.92
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134711727
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135105074
2-(5-fluoro-2-methylphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134707664
1-(3,5-dimethylphenyl)-3-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]urea
CID 155919724
2-(4-methoxyphenyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134697379
2-(4-propan-2-ylphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134709594
4-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pentanamide
CID 134697099
2-(4-methylsulfonylphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134711883
2-(3-methylphenoxy)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134699611
2-(7-methyl-2-oxochromen-4-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 171910173
3-methylsulfonyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
CID 135100569
4-amino-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide;dihydrochloride
CID 154918726

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2-(2,4,6-trimethylphenyl)acetamide (CID 135103473) is N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(CC(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)c(C)c1.
What is the InChIKey of N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is DGFQNTMOEFZXCE-UYAOXDASSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-14-8-15(2)19(16(3)9-14)11-21(24)23-20-13-25-12-18(20)10-17-4-6-22-7-5-17/h4-9,18,20H,10-13H2,1-3H3,(H,23,24)/t18-,20-/m1/s1.
What are the key properties of N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2-(2,4,6-trimethylphenyl)acetamide?
N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 338.45 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 135103473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).