2-(4-aminocyclohexyl)oxy-N-pentan-3-ylpropanamide

C14H28N2O2 — CID 62806864

IUPAC2-(4-aminocyclohexyl)oxy-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)OC1CCC(N)CC1
InChIInChI=1S/C14H28N2O2/c1-4-12(5-2)16-14(17)10(3)18-13-8-6-11(15)7-9-13/h10-13H,4-9,15H2,1-3H3,(H,16,17)
InChIKeyHZJPOKZXBPYWNA-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.97
Rot. Bonds6

About 2-(4-aminocyclohexyl)oxy-N-pentan-3-ylpropanamide

2-(4-aminocyclohexyl)oxy-N-pentan-3-ylpropanamide (PubChem CID 62806864) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-(4-aminocyclohexyl)oxy-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-(4-aminocyclohexyl)oxy-N-pentan-3-ylpropanamide
PubChem CID62806864
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-(4-aminocyclohexyl)oxy-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)OC1CCC(N)CC1
InChIInChI=1S/C14H28N2O2/c1-4-12(5-2)16-14(17)10(3)18-13-8-6-11(15)7-9-13/h10-13H,4-9,15H2,1-3H3,(H,16,17)
InChIKeyHZJPOKZXBPYWNA-UHFFFAOYSA-N
XLogP1.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminocyclohexyl)oxy-N-(2-methylpropyl)propanamide
CID 62805985
2-(4-aminocyclohexyl)oxypropanoic acid
CID 18666259
2-(3-aminocyclopentyl)oxy-N-prop-2-ynylpropanamide
CID 79464943
N-(1-amino-4-methylpentan-2-yl)-2-cycloheptyloxypropanamide;hydrochloride
CID 119587975
2-(3-aminocyclohexyl)oxy-N-propan-2-ylpropanamide
CID 79465179
(2R)-N-[(2S)-butan-2-yl]-2-[[(2R)-2-cycloheptyloxypropanoyl]amino]propanamide
CID 97095706
N-(4-aminocyclohexyl)-2-ethoxypropanamide
CID 119478328
N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylbutanamide
CID 63869286
2-(3-aminocyclopentyl)oxy-N-cyclopentylpropanamide
CID 79465685
2-(3-aminocyclopentyl)oxy-N-prop-2-enylpropanamide
CID 79464530
(2S)-2-cyclopropyloxy-3-methylpentanoic acid
CID 170443442
(2S)-2-(2-cycloheptyloxypropanoylamino)-4-methylpentanoic acid
CID 119360863

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminocyclohexyl)oxy-N-pentan-3-ylpropanamide?
The IUPAC name of 2-(4-aminocyclohexyl)oxy-N-pentan-3-ylpropanamide (CID 62806864) is 2-(4-aminocyclohexyl)oxy-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-(4-aminocyclohexyl)oxy-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-(4-aminocyclohexyl)oxy-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)OC1CCC(N)CC1.
What is the InChIKey of 2-(4-aminocyclohexyl)oxy-N-pentan-3-ylpropanamide?
The InChIKey is HZJPOKZXBPYWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-12(5-2)16-14(17)10(3)18-13-8-6-11(15)7-9-13/h10-13H,4-9,15H2,1-3H3,(H,16,17).
What are the key properties of 2-(4-aminocyclohexyl)oxy-N-pentan-3-ylpropanamide?
2-(4-aminocyclohexyl)oxy-N-pentan-3-ylpropanamide has a molecular weight of 256.39 g/mol, XLogP of 1.97, 6 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-pentan-3-ylpropanamide is sourced from PubChem (CID 62806864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).