N-[(2S,4R,6S)-2-benzyl-6-[1-(2-methoxyethyl)imidazol-2-yl]oxan-4-yl]acetamide

C20H27N3O3 — CID 50958032

IUPACN-[(2S,4R,6S)-2-benzyl-6-[1-(2-methoxyethyl)imidazol-2-yl]oxan-4-yl]acetamide
SMILESCOCCn1ccnc1[C@@H]1C[C@H](NC(C)=O)C[C@H](Cc2ccccc2)O1
InChIInChI=1S/C20H27N3O3/c1-15(24)22-17-13-18(12-16-6-4-3-5-7-16)26-19(14-17)20-21-8-9-23(20)10-11-25-2/h3-9,17-19H,10-14H2,1-2H3,(H,22,24)/t17-,18+,19+/m1/s1
InChIKeyIRHYCLOPVDQZCU-QYZOEREBSA-N
MW357.45 g/mol
LogP2.50
Rot. Bonds7

About N-[(2S,4R,6S)-2-benzyl-6-[1-(2-methoxyethyl)imidazol-2-yl]oxan-4-yl]acetamide

N-[(2S,4R,6S)-2-benzyl-6-[1-(2-methoxyethyl)imidazol-2-yl]oxan-4-yl]acetamide (PubChem CID 50958032) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[(2S,4R,6S)-2-benzyl-6-[1-(2-methoxyethyl)imidazol-2-yl]oxan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,4R,6S)-2-benzyl-6-[1-(2-methoxyethyl)imidazol-2-yl]oxan-4-yl]acetamide
PubChem CID50958032
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-[(2S,4R,6S)-2-benzyl-6-[1-(2-methoxyethyl)imidazol-2-yl]oxan-4-yl]acetamide
SMILESCOCCn1ccnc1[C@@H]1C[C@H](NC(C)=O)C[C@H](Cc2ccccc2)O1
InChIInChI=1S/C20H27N3O3/c1-15(24)22-17-13-18(12-16-6-4-3-5-7-16)26-19(14-17)20-21-8-9-23(20)10-11-25-2/h3-9,17-19H,10-14H2,1-2H3,(H,22,24)/t17-,18+,19+/m1/s1
InChIKeyIRHYCLOPVDQZCU-QYZOEREBSA-N
XLogP2.50
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R,6S)-2-benzyl-6-[1-(2-methoxyethyl)imidazol-2-yl]oxan-4-yl]acetamide?
The IUPAC name of N-[(2S,4R,6S)-2-benzyl-6-[1-(2-methoxyethyl)imidazol-2-yl]oxan-4-yl]acetamide (CID 50958032) is N-[(2S,4R,6S)-2-benzyl-6-[1-(2-methoxyethyl)imidazol-2-yl]oxan-4-yl]acetamide.
What is the SMILES notation for N-[(2S,4R,6S)-2-benzyl-6-[1-(2-methoxyethyl)imidazol-2-yl]oxan-4-yl]acetamide?
The canonical SMILES for N-[(2S,4R,6S)-2-benzyl-6-[1-(2-methoxyethyl)imidazol-2-yl]oxan-4-yl]acetamide is COCCn1ccnc1[C@@H]1C[C@H](NC(C)=O)C[C@H](Cc2ccccc2)O1.
What is the InChIKey of N-[(2S,4R,6S)-2-benzyl-6-[1-(2-methoxyethyl)imidazol-2-yl]oxan-4-yl]acetamide?
The InChIKey is IRHYCLOPVDQZCU-QYZOEREBSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-15(24)22-17-13-18(12-16-6-4-3-5-7-16)26-19(14-17)20-21-8-9-23(20)10-11-25-2/h3-9,17-19H,10-14H2,1-2H3,(H,22,24)/t17-,18+,19+/m1/s1.
What are the key properties of N-[(2S,4R,6S)-2-benzyl-6-[1-(2-methoxyethyl)imidazol-2-yl]oxan-4-yl]acetamide?
N-[(2S,4R,6S)-2-benzyl-6-[1-(2-methoxyethyl)imidazol-2-yl]oxan-4-yl]acetamide has a molecular weight of 357.45 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4R,6S)-2-benzyl-6-[1-(2-methoxyethyl)imidazol-2-yl]oxan-4-yl]acetamide is sourced from PubChem (CID 50958032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).