2-amino-N-(3-cyclohexyloxypropyl)propanamide

C12H24N2O2 — CID 61275790

IUPAC2-amino-N-(3-cyclohexyloxypropyl)propanamide
SMILESCC(N)C(=O)NCCCOC1CCCCC1
InChIInChI=1S/C12H24N2O2/c1-10(13)12(15)14-8-5-9-16-11-6-3-2-4-7-11/h10-11H,2-9,13H2,1H3,(H,14,15)
InChIKeyVXISJZGRSYBSFZ-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.19
Rot. Bonds6

About 2-amino-N-(3-cyclohexyloxypropyl)propanamide

2-amino-N-(3-cyclohexyloxypropyl)propanamide (PubChem CID 61275790) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-amino-N-(3-cyclohexyloxypropyl)propanamide.

Molecular Properties

Compound Name2-amino-N-(3-cyclohexyloxypropyl)propanamide
PubChem CID61275790
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-amino-N-(3-cyclohexyloxypropyl)propanamide
SMILESCC(N)C(=O)NCCCOC1CCCCC1
InChIInChI=1S/C12H24N2O2/c1-10(13)12(15)14-8-5-9-16-11-6-3-2-4-7-11/h10-11H,2-9,13H2,1H3,(H,14,15)
InChIKeyVXISJZGRSYBSFZ-UHFFFAOYSA-N
XLogP1.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.19
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

(2R)-2-amino-N-(2-cycloheptyloxyethyl)propanamide;hydrochloride
CID 119325372
2-amino-N-(3-cyclohexyloxypropyl)-2-(4-methylphenyl)acetamide
CID 120666811
2-amino-N-(2-cyclopentyloxyethyl)-3-methylbutanamide
CID 63828819
5-(3-cyclohexyloxypropylamino)-3-methyl-5-oxopentanoic acid
CID 62964201
3-amino-N-(3-cyclohexyloxypropyl)propanamide
CID 61275390
3-amino-N-(2-cyclohexyloxyethyl)butanamide
CID 63828834
2-(2-cyclopentyloxyethylamino)-N-(3-methoxypropyl)propanamide
CID 55259532
(2S)-2-amino-N-(3-cyclopentylpropyl)propanamide
CID 103795255
2-amino-N-(cyclohexylmethyl)propanamide
CID 43215382
(2R)-2-amino-N-(2-cyclohexyloxyethyl)pentanamide
CID 98582827
N-(3-cyclohexyloxypropyl)-2-ethoxyacetamide
CID 60668714
N-(3-cyclohexyloxypropyl)-4-propan-2-ylbenzamide
CID 134029978

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-cyclohexyloxypropyl)propanamide?
The IUPAC name of 2-amino-N-(3-cyclohexyloxypropyl)propanamide (CID 61275790) is 2-amino-N-(3-cyclohexyloxypropyl)propanamide.
What is the SMILES notation for 2-amino-N-(3-cyclohexyloxypropyl)propanamide?
The canonical SMILES for 2-amino-N-(3-cyclohexyloxypropyl)propanamide is CC(N)C(=O)NCCCOC1CCCCC1.
What is the InChIKey of 2-amino-N-(3-cyclohexyloxypropyl)propanamide?
The InChIKey is VXISJZGRSYBSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(13)12(15)14-8-5-9-16-11-6-3-2-4-7-11/h10-11H,2-9,13H2,1H3,(H,14,15).
What are the key properties of 2-amino-N-(3-cyclohexyloxypropyl)propanamide?
2-amino-N-(3-cyclohexyloxypropyl)propanamide has a molecular weight of 228.34 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-cyclohexyloxypropyl)propanamide is sourced from PubChem (CID 61275790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).