3-cyclohexyl-N-[2-(2-hydroxypropylamino)ethyl]propanamide

C14H28N2O2 — CID 104593625

IUPAC3-cyclohexyl-N-[2-(2-hydroxypropylamino)ethyl]propanamide
SMILESCC(O)CNCCNC(=O)CCC1CCCCC1
InChIInChI=1S/C14H28N2O2/c1-12(17)11-15-9-10-16-14(18)8-7-13-5-3-2-4-6-13/h12-13,15,17H,2-11H2,1H3,(H,16,18)
InChIKeyAIMVGAGHZFNPEC-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.43
Rot. Bonds8

About 3-cyclohexyl-N-[2-(2-hydroxypropylamino)ethyl]propanamide

3-cyclohexyl-N-[2-(2-hydroxypropylamino)ethyl]propanamide (PubChem CID 104593625) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-cyclohexyl-N-[2-(2-hydroxypropylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[2-(2-hydroxypropylamino)ethyl]propanamide
PubChem CID104593625
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name3-cyclohexyl-N-[2-(2-hydroxypropylamino)ethyl]propanamide
SMILESCC(O)CNCCNC(=O)CCC1CCCCC1
InChIInChI=1S/C14H28N2O2/c1-12(17)11-15-9-10-16-14(18)8-7-13-5-3-2-4-6-13/h12-13,15,17H,2-11H2,1H3,(H,16,18)
InChIKeyAIMVGAGHZFNPEC-UHFFFAOYSA-N
XLogP1.43
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopentyl-N-[2-(2-hydroxypropylamino)ethyl]propanamide
CID 104593435
3-cyclopentyl-N-[2-(propylamino)ethyl]propanamide
CID 62658625
3-cyclopentyl-N-[2-(3-hydroxybutylamino)-2-oxoethyl]propanamide
CID 111433458
3-cyclopentyl-N-(2-methylpropyl)propanamide
CID 918369
N-(2-amino-3-hydroxybutyl)-3-cyclohexylpropanamide
CID 64541698
N-[2-(2-hydroxypropylamino)ethyl]butanamide
CID 104593451
3-cyclohexyl-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120829047
4-(3-cyclohexylpropanoylamino)-2-hydroxybutanoic acid
CID 114006236
N-[2-(2-hydroxypropylamino)ethyl]-2-(thian-4-yl)acetamide
CID 104593565
N-(3-bromo-2-methylpropyl)-3-cyclohexylpropanamide
CID 114313527
2-cycloheptyl-N-[(2S)-2-hydroxypropyl]acetamide
CID 103884693
N-(2-chloroethyl)-3-cyclohexylpropanamide
CID 61288292

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[2-(2-hydroxypropylamino)ethyl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[2-(2-hydroxypropylamino)ethyl]propanamide (CID 104593625) is 3-cyclohexyl-N-[2-(2-hydroxypropylamino)ethyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[2-(2-hydroxypropylamino)ethyl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[2-(2-hydroxypropylamino)ethyl]propanamide is CC(O)CNCCNC(=O)CCC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-N-[2-(2-hydroxypropylamino)ethyl]propanamide?
The InChIKey is AIMVGAGHZFNPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-12(17)11-15-9-10-16-14(18)8-7-13-5-3-2-4-6-13/h12-13,15,17H,2-11H2,1H3,(H,16,18).
What are the key properties of 3-cyclohexyl-N-[2-(2-hydroxypropylamino)ethyl]propanamide?
3-cyclohexyl-N-[2-(2-hydroxypropylamino)ethyl]propanamide has a molecular weight of 256.39 g/mol, XLogP of 1.43, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[2-(2-hydroxypropylamino)ethyl]propanamide is sourced from PubChem (CID 104593625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).