2-(4-aminocyclohexyl)oxy-N-(2-methylpropyl)propanamide

C13H26N2O2 — CID 62805985

IUPAC2-(4-aminocyclohexyl)oxy-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)OC1CCC(N)CC1
InChIInChI=1S/C13H26N2O2/c1-9(2)8-15-13(16)10(3)17-12-6-4-11(14)5-7-12/h9-12H,4-8,14H2,1-3H3,(H,15,16)
InChIKeyHTSBIVRHZZWLRB-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.43
Rot. Bonds5

About 2-(4-aminocyclohexyl)oxy-N-(2-methylpropyl)propanamide

2-(4-aminocyclohexyl)oxy-N-(2-methylpropyl)propanamide (PubChem CID 62805985) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-(4-aminocyclohexyl)oxy-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-(4-aminocyclohexyl)oxy-N-(2-methylpropyl)propanamide
PubChem CID62805985
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-(4-aminocyclohexyl)oxy-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)OC1CCC(N)CC1
InChIInChI=1S/C13H26N2O2/c1-9(2)8-15-13(16)10(3)17-12-6-4-11(14)5-7-12/h9-12H,4-8,14H2,1-3H3,(H,15,16)
InChIKeyHTSBIVRHZZWLRB-UHFFFAOYSA-N
XLogP1.43
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxycyclohexane-1-carboxylate
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2-(4-aminocyclohexyl)oxypropanoic acid
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2-(3-aminocyclopentyl)oxy-N-prop-2-enylpropanamide
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CID 119498510
N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylbutanamide
CID 63869286
2-(3-aminocyclopentyl)oxy-N-cyclopentylpropanamide
CID 79465685
N-[2-(4-aminocyclohexyl)oxyethyl]-2,2-difluoroacetamide
CID 103514165
2-(4-aminocyclohexyl)oxypropan-1-ol
CID 130502573
N-(4-aminocyclohexyl)-2-ethoxypropanamide
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2-(3-aminocyclohexyl)oxy-N-propan-2-ylpropanamide
CID 79465179

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminocyclohexyl)oxy-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-(4-aminocyclohexyl)oxy-N-(2-methylpropyl)propanamide (CID 62805985) is 2-(4-aminocyclohexyl)oxy-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-(4-aminocyclohexyl)oxy-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-(4-aminocyclohexyl)oxy-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)OC1CCC(N)CC1.
What is the InChIKey of 2-(4-aminocyclohexyl)oxy-N-(2-methylpropyl)propanamide?
The InChIKey is HTSBIVRHZZWLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-9(2)8-15-13(16)10(3)17-12-6-4-11(14)5-7-12/h9-12H,4-8,14H2,1-3H3,(H,15,16).
What are the key properties of 2-(4-aminocyclohexyl)oxy-N-(2-methylpropyl)propanamide?
2-(4-aminocyclohexyl)oxy-N-(2-methylpropyl)propanamide has a molecular weight of 242.36 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminocyclohexyl)oxy-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 62805985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).