N-[(2S)-1-[4-[(6-ethoxy-1H-benzimidazol-2-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide

C20H29N3O4 — CID 122497833

IUPACN-[(2S)-1-[4-[(6-ethoxy-1H-benzimidazol-2-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide
SMILESCCOc1ccc2nc(OC3CCC(OC[C@H](C)NC(C)=O)CC3)[nH]c2c1
InChIInChI=1S/C20H29N3O4/c1-4-25-17-9-10-18-19(11-17)23-20(22-18)27-16-7-5-15(6-8-16)26-12-13(2)21-14(3)24/h9-11,13,15-16H,4-8,12H2,1-3H3,(H,21,24)(H,22,23)/t13-,15?,16?/m0/s1
InChIKeyIKRZHGLWUPHTGT-JEYLPNPQSA-N
MW375.47 g/mol
LogP3.19
Rot. Bonds8

About N-[(2S)-1-[4-[(6-ethoxy-1H-benzimidazol-2-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide

N-[(2S)-1-[4-[(6-ethoxy-1H-benzimidazol-2-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide (PubChem CID 122497833) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[(2S)-1-[4-[(6-ethoxy-1H-benzimidazol-2-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[4-[(6-ethoxy-1H-benzimidazol-2-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide
PubChem CID122497833
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC NameN-[(2S)-1-[4-[(6-ethoxy-1H-benzimidazol-2-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide
SMILESCCOc1ccc2nc(OC3CCC(OC[C@H](C)NC(C)=O)CC3)[nH]c2c1
InChIInChI=1S/C20H29N3O4/c1-4-25-17-9-10-18-19(11-17)23-20(22-18)27-16-7-5-15(6-8-16)26-12-13(2)21-14(3)24/h9-11,13,15-16H,4-8,12H2,1-3H3,(H,21,24)(H,22,23)/t13-,15?,16?/m0/s1
InChIKeyIKRZHGLWUPHTGT-JEYLPNPQSA-N
XLogP3.19
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[4-[(6-ethoxy-1H-benzimidazol-2-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[4-[(6-ethoxy-1H-benzimidazol-2-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide (CID 122497833) is N-[(2S)-1-[4-[(6-ethoxy-1H-benzimidazol-2-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-[4-[(6-ethoxy-1H-benzimidazol-2-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[4-[(6-ethoxy-1H-benzimidazol-2-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide is CCOc1ccc2nc(OC3CCC(OC[C@H](C)NC(C)=O)CC3)[nH]c2c1.
What is the InChIKey of N-[(2S)-1-[4-[(6-ethoxy-1H-benzimidazol-2-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide?
The InChIKey is IKRZHGLWUPHTGT-JEYLPNPQSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-4-25-17-9-10-18-19(11-17)23-20(22-18)27-16-7-5-15(6-8-16)26-12-13(2)21-14(3)24/h9-11,13,15-16H,4-8,12H2,1-3H3,(H,21,24)(H,22,23)/t13-,15?,16?/m0/s1.
What are the key properties of N-[(2S)-1-[4-[(6-ethoxy-1H-benzimidazol-2-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide?
N-[(2S)-1-[4-[(6-ethoxy-1H-benzimidazol-2-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide has a molecular weight of 375.47 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[4-[(6-ethoxy-1H-benzimidazol-2-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide is sourced from PubChem (CID 122497833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).