N-[(1R,2R)-2-aminocyclohexyl]-3-ethoxypropanamide

C11H22N2O2 — CID 103805745

IUPACN-[(1R,2R)-2-aminocyclohexyl]-3-ethoxypropanamide
SMILESCCOCCC(=O)N[C@@H]1CCCC[C@H]1N
InChIInChI=1S/C11H22N2O2/c1-2-15-8-7-11(14)13-10-6-4-3-5-9(10)12/h9-10H,2-8,12H2,1H3,(H,13,14)/t9-,10-/m1/s1
InChIKeyKLOONMWQYLKTBP-NXEZZACHSA-N
MW214.31 g/mol
LogP0.80
Rot. Bonds5

About N-[(1R,2R)-2-aminocyclohexyl]-3-ethoxypropanamide

N-[(1R,2R)-2-aminocyclohexyl]-3-ethoxypropanamide (PubChem CID 103805745) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-[(1R,2R)-2-aminocyclohexyl]-3-ethoxypropanamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-aminocyclohexyl]-3-ethoxypropanamide
PubChem CID103805745
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-[(1R,2R)-2-aminocyclohexyl]-3-ethoxypropanamide
SMILESCCOCCC(=O)N[C@@H]1CCCC[C@H]1N
InChIInChI=1S/C11H22N2O2/c1-2-15-8-7-11(14)13-10-6-4-3-5-9(10)12/h9-10H,2-8,12H2,1H3,(H,13,14)/t9-,10-/m1/s1
InChIKeyKLOONMWQYLKTBP-NXEZZACHSA-N
XLogP0.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-N-[2-(hydroxymethyl)cyclohexyl]propanamide
CID 103798579
N-(2-aminocyclohexyl)propanamide
CID 61036997
N-[(2-aminocyclohexyl)methyl]-3-ethoxypropanamide
CID 64927440
N-[(1R,2R)-2-aminocyclohexyl]decanamide
CID 103805740
N-[(1R,2R)-2-aminocyclohexyl]nonanamide
CID 103805764
N-(4-aminocyclohexyl)-3-ethoxypropanamide;hydrochloride
CID 119475217
N-(2-aminocyclopentyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103164928
N-(2-aminocyclohexyl)-2-(methylamino)acetamide
CID 130622235
ethyl N-(2-aminocyclopentyl)carbamate
CID 63251751
N-[(1R,2R)-2-aminocyclohexyl]-2-methylsulfanylacetamide
CID 93452012
N-(2-aminocyclohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603334
N-(2-aminocyclohexyl)-3-methylpentanamide
CID 114875574

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-3-ethoxypropanamide?
The IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-3-ethoxypropanamide (CID 103805745) is N-[(1R,2R)-2-aminocyclohexyl]-3-ethoxypropanamide.
What is the SMILES notation for N-[(1R,2R)-2-aminocyclohexyl]-3-ethoxypropanamide?
The canonical SMILES for N-[(1R,2R)-2-aminocyclohexyl]-3-ethoxypropanamide is CCOCCC(=O)N[C@@H]1CCCC[C@H]1N.
What is the InChIKey of N-[(1R,2R)-2-aminocyclohexyl]-3-ethoxypropanamide?
The InChIKey is KLOONMWQYLKTBP-NXEZZACHSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-2-15-8-7-11(14)13-10-6-4-3-5-9(10)12/h9-10H,2-8,12H2,1H3,(H,13,14)/t9-,10-/m1/s1.
What are the key properties of N-[(1R,2R)-2-aminocyclohexyl]-3-ethoxypropanamide?
N-[(1R,2R)-2-aminocyclohexyl]-3-ethoxypropanamide has a molecular weight of 214.31 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-aminocyclohexyl]-3-ethoxypropanamide is sourced from PubChem (CID 103805745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).