N-[1-(hydroxymethyl)cyclohexyl]-3-propoxypropanamide

C13H25NO3 — CID 55104016

IUPACN-[1-(hydroxymethyl)cyclohexyl]-3-propoxypropanamide
SMILESCCCOCCC(=O)NC1(CO)CCCCC1
InChIInChI=1S/C13H25NO3/c1-2-9-17-10-6-12(16)14-13(11-15)7-4-3-5-8-13/h15H,2-11H2,1H3,(H,14,16)
InChIKeyMBGMKKAQDWOSAH-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.61
Rot. Bonds7

About N-[1-(hydroxymethyl)cyclohexyl]-3-propoxypropanamide

N-[1-(hydroxymethyl)cyclohexyl]-3-propoxypropanamide (PubChem CID 55104016) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclohexyl]-3-propoxypropanamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclohexyl]-3-propoxypropanamide
PubChem CID55104016
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC NameN-[1-(hydroxymethyl)cyclohexyl]-3-propoxypropanamide
SMILESCCCOCCC(=O)NC1(CO)CCCCC1
InChIInChI=1S/C13H25NO3/c1-2-9-17-10-6-12(16)14-13(11-15)7-4-3-5-8-13/h15H,2-11H2,1H3,(H,14,16)
InChIKeyMBGMKKAQDWOSAH-UHFFFAOYSA-N
XLogP1.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.61
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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Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-3-propoxypropanamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-3-propoxypropanamide (CID 55104016) is N-[1-(hydroxymethyl)cyclohexyl]-3-propoxypropanamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclohexyl]-3-propoxypropanamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclohexyl]-3-propoxypropanamide is CCCOCCC(=O)NC1(CO)CCCCC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclohexyl]-3-propoxypropanamide?
The InChIKey is MBGMKKAQDWOSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-2-9-17-10-6-12(16)14-13(11-15)7-4-3-5-8-13/h15H,2-11H2,1H3,(H,14,16).
What are the key properties of N-[1-(hydroxymethyl)cyclohexyl]-3-propoxypropanamide?
N-[1-(hydroxymethyl)cyclohexyl]-3-propoxypropanamide has a molecular weight of 243.35 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclohexyl]-3-propoxypropanamide is sourced from PubChem (CID 55104016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).