2-(3-aminocyclohexyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide

C14H28N2O3 — CID 106593074

IUPAC2-(3-aminocyclohexyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide
SMILESCOCCN(CCO)C(=O)C(C)C1CCCC(N)C1
InChIInChI=1S/C14H28N2O3/c1-11(12-4-3-5-13(15)10-12)14(18)16(6-8-17)7-9-19-2/h11-13,17H,3-10,15H2,1-2H3
InChIKeyHDNFHDFNSGRRQN-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.61
Rot. Bonds7

About 2-(3-aminocyclohexyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide

2-(3-aminocyclohexyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide (PubChem CID 106593074) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-(3-aminocyclohexyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-(3-aminocyclohexyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide
PubChem CID106593074
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name2-(3-aminocyclohexyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide
SMILESCOCCN(CCO)C(=O)C(C)C1CCCC(N)C1
InChIInChI=1S/C14H28N2O3/c1-11(12-4-3-5-13(15)10-12)14(18)16(6-8-17)7-9-19-2/h11-13,17H,3-10,15H2,1-2H3
InChIKeyHDNFHDFNSGRRQN-UHFFFAOYSA-N
XLogP0.61
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminocyclohexyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-(3-aminocyclohexyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide (CID 106593074) is 2-(3-aminocyclohexyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-(3-aminocyclohexyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-(3-aminocyclohexyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide is COCCN(CCO)C(=O)C(C)C1CCCC(N)C1.
What is the InChIKey of 2-(3-aminocyclohexyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide?
The InChIKey is HDNFHDFNSGRRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-11(12-4-3-5-13(15)10-12)14(18)16(6-8-17)7-9-19-2/h11-13,17H,3-10,15H2,1-2H3.
What are the key properties of 2-(3-aminocyclohexyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide?
2-(3-aminocyclohexyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide has a molecular weight of 272.39 g/mol, XLogP of 0.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminocyclohexyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 106593074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).