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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Related Compounds

N-[(2S)-1-[4-[(2-ethoxy-1,3-benzothiazol-6-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide
CID 122497729
N-[(2S)-1-[4-(1-methyl-5-propan-2-yloxybenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide
CID 122497786
N-[(2S)-1-[4-(5-chloro-6-ethoxy-4-fluoro-1-methylbenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide
CID 122497814
N-[(2S)-1-[4-(5,6-difluoro-1-methylbenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide
CID 134357670
N-[(2S)-1-[1-[6-(cyclobutylmethoxy)-1,3-benzoxazol-2-yl]piperidin-4-yl]oxypropan-2-yl]acetamide
CID 58483998
N-[(2S)-1-[4-[(2-cyclopropyloxy-[1,3]thiazolo[4,5-c]pyridin-6-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide
CID 122497724
N-[(2S)-1-[4-[(5-bromo-1,3-benzothiazol-2-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide
CID 122498091
N-[(2S)-1-[4-(6-ethoxy-5,7-difluoro-1-methylbenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide
CID 122497819
(2R)-N-cyclopropyl-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide
CID 41037543
N-[(2S)-1-[4-[(2-ethoxy-7-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide
CID 122497848
3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]butan-2-one
CID 43218622
N-[(2S)-1-[1-[6-(2,2,2-trifluoroethoxy)-1,3-benzoxazol-2-yl]piperidin-4-yl]oxypropan-2-yl]acetamide
CID 58484027

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).