N-[(1R,3S)-3-[(4-ethyl-1H-indazol-5-yl)oxy]cyclohexyl]propanamide

C18H25N3O2 — CID 69431824

IUPACN-[(1R,3S)-3-[(4-ethyl-1H-indazol-5-yl)oxy]cyclohexyl]propanamide
SMILESCCC(=O)N[C@@H]1CCC[C@H](Oc2ccc3[nH]ncc3c2CC)C1
InChIInChI=1S/C18H25N3O2/c1-3-14-15-11-19-21-16(15)8-9-17(14)23-13-7-5-6-12(10-13)20-18(22)4-2/h8-9,11-13H,3-7,10H2,1-2H3,(H,19,21)(H,20,22)/t12-,13+/m1/s1
InChIKeyWZZYQTJWFMZFQQ-OLZOCXBDSA-N
MW315.42 g/mol
LogP3.34
Rot. Bonds5

About N-[(1R,3S)-3-[(4-ethyl-1H-indazol-5-yl)oxy]cyclohexyl]propanamide

N-[(1R,3S)-3-[(4-ethyl-1H-indazol-5-yl)oxy]cyclohexyl]propanamide (PubChem CID 69431824) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[(1R,3S)-3-[(4-ethyl-1H-indazol-5-yl)oxy]cyclohexyl]propanamide.

Molecular Properties

Compound NameN-[(1R,3S)-3-[(4-ethyl-1H-indazol-5-yl)oxy]cyclohexyl]propanamide
PubChem CID69431824
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[(1R,3S)-3-[(4-ethyl-1H-indazol-5-yl)oxy]cyclohexyl]propanamide
SMILESCCC(=O)N[C@@H]1CCC[C@H](Oc2ccc3[nH]ncc3c2CC)C1
InChIInChI=1S/C18H25N3O2/c1-3-14-15-11-19-21-16(15)8-9-17(14)23-13-7-5-6-12(10-13)20-18(22)4-2/h8-9,11-13H,3-7,10H2,1-2H3,(H,19,21)(H,20,22)/t12-,13+/m1/s1
InChIKeyWZZYQTJWFMZFQQ-OLZOCXBDSA-N
XLogP3.34
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 169551132
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CID 134805764
CID 134805764
CID 134806396
CID 134806396
CID 134807322
CID 134807322
CID 134809715
CID 134809715
CID 134805397
CID 134805397
CID 134806076
CID 134806076
CID 18447108
CID 18447108
CID 18447118
CID 18447118

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-[(4-ethyl-1H-indazol-5-yl)oxy]cyclohexyl]propanamide?
The IUPAC name of N-[(1R,3S)-3-[(4-ethyl-1H-indazol-5-yl)oxy]cyclohexyl]propanamide (CID 69431824) is N-[(1R,3S)-3-[(4-ethyl-1H-indazol-5-yl)oxy]cyclohexyl]propanamide.
What is the SMILES notation for N-[(1R,3S)-3-[(4-ethyl-1H-indazol-5-yl)oxy]cyclohexyl]propanamide?
The canonical SMILES for N-[(1R,3S)-3-[(4-ethyl-1H-indazol-5-yl)oxy]cyclohexyl]propanamide is CCC(=O)N[C@@H]1CCC[C@H](Oc2ccc3[nH]ncc3c2CC)C1.
What is the InChIKey of N-[(1R,3S)-3-[(4-ethyl-1H-indazol-5-yl)oxy]cyclohexyl]propanamide?
The InChIKey is WZZYQTJWFMZFQQ-OLZOCXBDSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-3-14-15-11-19-21-16(15)8-9-17(14)23-13-7-5-6-12(10-13)20-18(22)4-2/h8-9,11-13H,3-7,10H2,1-2H3,(H,19,21)(H,20,22)/t12-,13+/m1/s1.
What are the key properties of N-[(1R,3S)-3-[(4-ethyl-1H-indazol-5-yl)oxy]cyclohexyl]propanamide?
N-[(1R,3S)-3-[(4-ethyl-1H-indazol-5-yl)oxy]cyclohexyl]propanamide has a molecular weight of 315.42 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-3-[(4-ethyl-1H-indazol-5-yl)oxy]cyclohexyl]propanamide is sourced from PubChem (CID 69431824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).