2-(3-aminocyclohexyl)-N-(1-ethoxypropan-2-yl)propanamide

C14H28N2O2 — CID 106592825

IUPAC2-(3-aminocyclohexyl)-N-(1-ethoxypropan-2-yl)propanamide
SMILESCCOCC(C)NC(=O)C(C)C1CCCC(N)C1
InChIInChI=1S/C14H28N2O2/c1-4-18-9-10(2)16-14(17)11(3)12-6-5-7-13(15)8-12/h10-13H,4-9,15H2,1-3H3,(H,16,17)
InChIKeyLOPZHFNQKYRQKK-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.68
Rot. Bonds6

About 2-(3-aminocyclohexyl)-N-(1-ethoxypropan-2-yl)propanamide

2-(3-aminocyclohexyl)-N-(1-ethoxypropan-2-yl)propanamide (PubChem CID 106592825) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-(3-aminocyclohexyl)-N-(1-ethoxypropan-2-yl)propanamide.

Molecular Properties

Compound Name2-(3-aminocyclohexyl)-N-(1-ethoxypropan-2-yl)propanamide
PubChem CID106592825
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-(3-aminocyclohexyl)-N-(1-ethoxypropan-2-yl)propanamide
SMILESCCOCC(C)NC(=O)C(C)C1CCCC(N)C1
InChIInChI=1S/C14H28N2O2/c1-4-18-9-10(2)16-14(17)11(3)12-6-5-7-13(15)8-12/h10-13H,4-9,15H2,1-3H3,(H,16,17)
InChIKeyLOPZHFNQKYRQKK-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminocyclohexyl)-N-heptan-2-ylpropanamide
CID 106592721
2-(3-aminocyclohexyl)-N-(6-methylheptan-2-yl)propanamide
CID 106592764
2-(3-aminocyclohexyl)-N-hexan-3-ylpropanamide
CID 106592741
2-(3-aminocyclohexyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]propanamide
CID 106592817
2-(3-aminocyclohexyl)-N-cyclopentylpropanamide
CID 106592608
2-(3-aminocyclohexyl)-N-(2-methoxypropyl)propanamide
CID 106593109
5-amino-N-(1-ethoxypropan-2-yl)-2-methylcyclohexane-1-carboxamide
CID 62782760
(2R)-2-amino-N-(1-ethoxypropan-2-yl)propanamide
CID 78977149
tert-butyl 2-(3-aminocyclohexyl)propanoate
CID 163419841
2-(3-aminocyclohexyl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 106592776
2-(3-aminocyclohexyl)-N-(oxolan-2-ylmethyl)propanamide
CID 106592649
2-(3-aminocyclohexyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 106592732

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminocyclohexyl)-N-(1-ethoxypropan-2-yl)propanamide?
The IUPAC name of 2-(3-aminocyclohexyl)-N-(1-ethoxypropan-2-yl)propanamide (CID 106592825) is 2-(3-aminocyclohexyl)-N-(1-ethoxypropan-2-yl)propanamide.
What is the SMILES notation for 2-(3-aminocyclohexyl)-N-(1-ethoxypropan-2-yl)propanamide?
The canonical SMILES for 2-(3-aminocyclohexyl)-N-(1-ethoxypropan-2-yl)propanamide is CCOCC(C)NC(=O)C(C)C1CCCC(N)C1.
What is the InChIKey of 2-(3-aminocyclohexyl)-N-(1-ethoxypropan-2-yl)propanamide?
The InChIKey is LOPZHFNQKYRQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-18-9-10(2)16-14(17)11(3)12-6-5-7-13(15)8-12/h10-13H,4-9,15H2,1-3H3,(H,16,17).
What are the key properties of 2-(3-aminocyclohexyl)-N-(1-ethoxypropan-2-yl)propanamide?
2-(3-aminocyclohexyl)-N-(1-ethoxypropan-2-yl)propanamide has a molecular weight of 256.39 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminocyclohexyl)-N-(1-ethoxypropan-2-yl)propanamide is sourced from PubChem (CID 106592825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).