N-(3-hydroxypropyl)-2-[1-(methylamino)cyclohexyl]acetamide

C12H24N2O2 — CID 65240439

IUPACN-(3-hydroxypropyl)-2-[1-(methylamino)cyclohexyl]acetamide
SMILESCNC1(CC(=O)NCCCO)CCCCC1
InChIInChI=1S/C12H24N2O2/c1-13-12(6-3-2-4-7-12)10-11(16)14-8-5-9-15/h13,15H,2-10H2,1H3,(H,14,16)
InChIKeyZOQZVRGUUYXEDS-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.80
Rot. Bonds6

About N-(3-hydroxypropyl)-2-[1-(methylamino)cyclohexyl]acetamide

N-(3-hydroxypropyl)-2-[1-(methylamino)cyclohexyl]acetamide (PubChem CID 65240439) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2-[1-(methylamino)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2-[1-(methylamino)cyclohexyl]acetamide
PubChem CID65240439
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-(3-hydroxypropyl)-2-[1-(methylamino)cyclohexyl]acetamide
SMILESCNC1(CC(=O)NCCCO)CCCCC1
InChIInChI=1S/C12H24N2O2/c1-13-12(6-3-2-4-7-12)10-11(16)14-8-5-9-15/h13,15H,2-10H2,1H3,(H,14,16)
InChIKeyZOQZVRGUUYXEDS-UHFFFAOYSA-N
XLogP0.80
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.80
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

N-hexyl-2-[1-(methylamino)cyclohexyl]acetamide
CID 65242387
4-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]butanoic acid
CID 65242309
2-[1-(methylamino)cyclohexyl]-N-(4,4,4-trifluorobutyl)acetamide
CID 115519309
N-(2-aminoethyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65242364
3-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoic acid
CID 65242262
N-ethyl-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240911
1-[2-(3-hydroxypropylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 60889868
N-(4-hydroxy-2-methylbutyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 66090208
N-[2-[di(propan-2-yl)amino]ethyl]-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240571
N-[1-(hydroxymethyl)cyclopentyl]-2-[1-(methylamino)cyclohexyl]acetamide
CID 65242231
N-[(2R)-2-hydroxypropyl]-2-[1-(methylamino)cyclohexyl]acetamide
CID 107220990
2-[1-(methylamino)cyclohexyl]-N-(2-methylprop-2-enyl)acetamide
CID 114617178

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-2-[1-(methylamino)cyclohexyl]acetamide?
The IUPAC name of N-(3-hydroxypropyl)-2-[1-(methylamino)cyclohexyl]acetamide (CID 65240439) is N-(3-hydroxypropyl)-2-[1-(methylamino)cyclohexyl]acetamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2-[1-(methylamino)cyclohexyl]acetamide?
The canonical SMILES for N-(3-hydroxypropyl)-2-[1-(methylamino)cyclohexyl]acetamide is CNC1(CC(=O)NCCCO)CCCCC1.
What is the InChIKey of N-(3-hydroxypropyl)-2-[1-(methylamino)cyclohexyl]acetamide?
The InChIKey is ZOQZVRGUUYXEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-13-12(6-3-2-4-7-12)10-11(16)14-8-5-9-15/h13,15H,2-10H2,1H3,(H,14,16).
What are the key properties of N-(3-hydroxypropyl)-2-[1-(methylamino)cyclohexyl]acetamide?
N-(3-hydroxypropyl)-2-[1-(methylamino)cyclohexyl]acetamide has a molecular weight of 228.34 g/mol, XLogP of 0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2-[1-(methylamino)cyclohexyl]acetamide is sourced from PubChem (CID 65240439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).