2-methyl-N-[4-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]propanamide

C18H25N3O2 — CID 18447107

IUPAC2-methyl-N-[4-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]propanamide
SMILESCc1c(OC2CCC(NC(=O)C(C)C)CC2)ccc2[nH]ncc12
InChIInChI=1S/C18H25N3O2/c1-11(2)18(22)20-13-4-6-14(7-5-13)23-17-9-8-16-15(12(17)3)10-19-21-16/h8-11,13-14H,4-7H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyVWBZTHANUNTGJT-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.33
Rot. Bonds4

About 2-methyl-N-[4-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]propanamide

2-methyl-N-[4-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]propanamide (PubChem CID 18447107) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-methyl-N-[4-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]propanamide
PubChem CID18447107
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name2-methyl-N-[4-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]propanamide
SMILESCc1c(OC2CCC(NC(=O)C(C)C)CC2)ccc2[nH]ncc12
InChIInChI=1S/C18H25N3O2/c1-11(2)18(22)20-13-4-6-14(7-5-13)23-17-9-8-16-15(12(17)3)10-19-21-16/h8-11,13-14H,4-7H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyVWBZTHANUNTGJT-UHFFFAOYSA-N
XLogP3.33
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]cyclopentanecarboxamide
CID 18447471
N-cyclopentyl-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine
CID 18447506
[(1R,3R)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]methanamine
CID 69432427
trans-(1R,3R)-3-[(4-methyl-1H-indazol-5-yl)oxy]-N-propylcyclohexan-1-amine
CID 69435918
N-butyl-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine
CID 18447303
N-(2-methoxyethyl)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine
CID 18447379
N-(2,2-dimethylpropyl)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine;hydrochloride
CID 18447475
N-methyl-N-[(1R,3S)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]aniline
CID 69432381
N-[(1R,3S)-3-[(4-ethyl-1H-indazol-5-yl)oxy]cyclohexyl]propanamide
CID 69431824
cis-(1R,3S)-3-[(4-methyl-1H-indazol-5-yl)oxy]-N-pentylcyclohexan-1-amine
CID 69429735
N-[(1S,3R)-3-[(4-methoxy-1H-indazol-5-yl)oxy]cyclohexyl]acetamide
CID 69434044
4-methyl-5-[(1S,3S)-3-(2-nitropropan-2-yl)cyclohexyl]oxy-1H-indazole
CID 69430739

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]propanamide (CID 18447107) is 2-methyl-N-[4-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]propanamide is Cc1c(OC2CCC(NC(=O)C(C)C)CC2)ccc2[nH]ncc12.
What is the InChIKey of 2-methyl-N-[4-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]propanamide?
The InChIKey is VWBZTHANUNTGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-11(2)18(22)20-13-4-6-14(7-5-13)23-17-9-8-16-15(12(17)3)10-19-21-16/h8-11,13-14H,4-7H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of 2-methyl-N-[4-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]propanamide?
2-methyl-N-[4-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]propanamide has a molecular weight of 315.42 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]propanamide is sourced from PubChem (CID 18447107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).