N-[2-(3-hydroxypropylamino)-2-oxoethyl]cyclohexanecarboxamide

C12H22N2O3 — CID 2917910

IUPACN-[2-(3-hydroxypropylamino)-2-oxoethyl]cyclohexanecarboxamide
SMILESO=C(CNC(=O)C1CCCCC1)NCCCO
InChIInChI=1S/C12H22N2O3/c15-8-4-7-13-11(16)9-14-12(17)10-5-2-1-3-6-10/h10,15H,1-9H2,(H,13,16)(H,14,17)
InChIKeyXECUAGADMWHWOH-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.18
Rot. Bonds6

About N-[2-(3-hydroxypropylamino)-2-oxoethyl]cyclohexanecarboxamide

N-[2-(3-hydroxypropylamino)-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 2917910) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is N-[2-(3-hydroxypropylamino)-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(3-hydroxypropylamino)-2-oxoethyl]cyclohexanecarboxamide
PubChem CID2917910
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC NameN-[2-(3-hydroxypropylamino)-2-oxoethyl]cyclohexanecarboxamide
SMILESO=C(CNC(=O)C1CCCCC1)NCCCO
InChIInChI=1S/C12H22N2O3/c15-8-4-7-13-11(16)9-14-12(17)10-5-2-1-3-6-10/h10,15H,1-9H2,(H,13,16)(H,14,17)
InChIKeyXECUAGADMWHWOH-UHFFFAOYSA-N
XLogP0.18
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.18
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxypropylamino)-2-oxoethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(3-hydroxypropylamino)-2-oxoethyl]cyclohexanecarboxamide (CID 2917910) is N-[2-(3-hydroxypropylamino)-2-oxoethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(3-hydroxypropylamino)-2-oxoethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(3-hydroxypropylamino)-2-oxoethyl]cyclohexanecarboxamide is O=C(CNC(=O)C1CCCCC1)NCCCO.
What is the InChIKey of N-[2-(3-hydroxypropylamino)-2-oxoethyl]cyclohexanecarboxamide?
The InChIKey is XECUAGADMWHWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c15-8-4-7-13-11(16)9-14-12(17)10-5-2-1-3-6-10/h10,15H,1-9H2,(H,13,16)(H,14,17).
What are the key properties of N-[2-(3-hydroxypropylamino)-2-oxoethyl]cyclohexanecarboxamide?
N-[2-(3-hydroxypropylamino)-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 242.32 g/mol, XLogP of 0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxypropylamino)-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 2917910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).