(2R)-2-ethoxy-N-[4-[(1S,2S)-2-hydroxycyclohexyl]oxyphenyl]propanamide

C17H25NO4 — CID 95772065

IUPAC(2R)-2-ethoxy-N-[4-[(1S,2S)-2-hydroxycyclohexyl]oxyphenyl]propanamide
SMILESCCO[C@H](C)C(=O)Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1
InChIInChI=1S/C17H25NO4/c1-3-21-12(2)17(20)18-13-8-10-14(11-9-13)22-16-7-5-4-6-15(16)19/h8-12,15-16,19H,3-7H2,1-2H3,(H,18,20)/t12-,15+,16+/m1/s1
InChIKeyZJQYZOVVWVQTLT-KCXAZCMYSA-N
MW307.39 g/mol
LogP2.73
Rot. Bonds6

About (2R)-2-ethoxy-N-[4-[(1S,2S)-2-hydroxycyclohexyl]oxyphenyl]propanamide

(2R)-2-ethoxy-N-[4-[(1S,2S)-2-hydroxycyclohexyl]oxyphenyl]propanamide (PubChem CID 95772065) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is (2R)-2-ethoxy-N-[4-[(1S,2S)-2-hydroxycyclohexyl]oxyphenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-ethoxy-N-[4-[(1S,2S)-2-hydroxycyclohexyl]oxyphenyl]propanamide
PubChem CID95772065
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name(2R)-2-ethoxy-N-[4-[(1S,2S)-2-hydroxycyclohexyl]oxyphenyl]propanamide
SMILESCCO[C@H](C)C(=O)Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1
InChIInChI=1S/C17H25NO4/c1-3-21-12(2)17(20)18-13-8-10-14(11-9-13)22-16-7-5-4-6-15(16)19/h8-12,15-16,19H,3-7H2,1-2H3,(H,18,20)/t12-,15+,16+/m1/s1
InChIKeyZJQYZOVVWVQTLT-KCXAZCMYSA-N
XLogP2.73
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]propanamide
CID 119329344
N-[4-(2-hydroxycyclohexyl)oxyphenyl]propanamide
CID 111428793
2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methylpropanamide
CID 119329332
2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-(oxan-4-yl)acetamide
CID 120794064
ethyl 2-[3-(4-acetamidophenoxy)-4-hydroxycyclohexyl]propanoate
CID 57309325
3-amino-2-(4-fluorophenyl)-N-[4-(2-hydroxycyclohexyl)oxyphenyl]propanamide;hydrochloride
CID 120634360
2-(cyclopropylmethylamino)-N-[4-(2-hydroxycyclohexyl)oxyphenyl]acetamide;hydrochloride
CID 119793780
2-[4-(1-methoxypropan-2-ylamino)phenoxy]cyclohexan-1-ol
CID 111477808
N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methylbenzamide
CID 111428764
[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
CID 8953129
2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]cyclooctane-1-carboxamide
CID 119793771
(2S,3S)-2-amino-N-(4-cyclopentyloxyphenyl)-3-methylpentanamide
CID 61178379

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethoxy-N-[4-[(1S,2S)-2-hydroxycyclohexyl]oxyphenyl]propanamide?
The IUPAC name of (2R)-2-ethoxy-N-[4-[(1S,2S)-2-hydroxycyclohexyl]oxyphenyl]propanamide (CID 95772065) is (2R)-2-ethoxy-N-[4-[(1S,2S)-2-hydroxycyclohexyl]oxyphenyl]propanamide.
What is the SMILES notation for (2R)-2-ethoxy-N-[4-[(1S,2S)-2-hydroxycyclohexyl]oxyphenyl]propanamide?
The canonical SMILES for (2R)-2-ethoxy-N-[4-[(1S,2S)-2-hydroxycyclohexyl]oxyphenyl]propanamide is CCO[C@H](C)C(=O)Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1.
What is the InChIKey of (2R)-2-ethoxy-N-[4-[(1S,2S)-2-hydroxycyclohexyl]oxyphenyl]propanamide?
The InChIKey is ZJQYZOVVWVQTLT-KCXAZCMYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-3-21-12(2)17(20)18-13-8-10-14(11-9-13)22-16-7-5-4-6-15(16)19/h8-12,15-16,19H,3-7H2,1-2H3,(H,18,20)/t12-,15+,16+/m1/s1.
What are the key properties of (2R)-2-ethoxy-N-[4-[(1S,2S)-2-hydroxycyclohexyl]oxyphenyl]propanamide?
(2R)-2-ethoxy-N-[4-[(1S,2S)-2-hydroxycyclohexyl]oxyphenyl]propanamide has a molecular weight of 307.39 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethoxy-N-[4-[(1S,2S)-2-hydroxycyclohexyl]oxyphenyl]propanamide is sourced from PubChem (CID 95772065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).