2-(cyclohexylcarbamoylamino)-N-(2-methoxyethyl)acetamide

C12H23N3O3 — CID 47122602

IUPAC2-(cyclohexylcarbamoylamino)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNC(=O)NC1CCCCC1
InChIInChI=1S/C12H23N3O3/c1-18-8-7-13-11(16)9-14-12(17)15-10-5-3-2-4-6-10/h10H,2-9H2,1H3,(H,13,16)(H2,14,15,17)
InChIKeyUTGOOEQULMTABR-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.38
Rot. Bonds6

About 2-(cyclohexylcarbamoylamino)-N-(2-methoxyethyl)acetamide

2-(cyclohexylcarbamoylamino)-N-(2-methoxyethyl)acetamide (PubChem CID 47122602) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-(cyclohexylcarbamoylamino)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(cyclohexylcarbamoylamino)-N-(2-methoxyethyl)acetamide
PubChem CID47122602
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name2-(cyclohexylcarbamoylamino)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNC(=O)NC1CCCCC1
InChIInChI=1S/C12H23N3O3/c1-18-8-7-13-11(16)9-14-12(17)15-10-5-3-2-4-6-10/h10H,2-9H2,1H3,(H,13,16)(H2,14,15,17)
InChIKeyUTGOOEQULMTABR-UHFFFAOYSA-N
XLogP0.38
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.38
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

2-(cyclopentylcarbamoylamino)-N-(2-methoxyethyl)acetamide
CID 38170461
2-(cyclopropylcarbamoylamino)-N-(2-methoxyethyl)acetamide
CID 47127449
2-(cyclohexylcarbamoylamino)-N-(3-methoxypropyl)acetamide
CID 47318586
N-cyclohexyl-2-(cyclopentylcarbamoylamino)acetamide
CID 84516190
1-cyclododecyl-3-(2-methoxyethoxymethyl)urea
CID 108894366
2-[[(1S)-1-cycloheptylethyl]amino]-N-(2-methoxyethyl)acetamide
CID 81392388
N'-cyclohexyl-N-(3-methoxypropyl)propanediamide
CID 108942501
2-(cyclobutylcarbamoylamino)-N-ethylacetamide
CID 115617813
1-cyclobutyl-3-(4-methoxybutyl)urea
CID 84519072
1-[2-(2-chloroethoxy)ethyl]-3-cyclohexylurea
CID 12683643
N-cycloheptyl-3-methoxypropanamide
CID 110839127
2-[(2S,5R,6S)-5-(cyclohexylcarbamoylamino)-6-(hydroxymethyl)oxan-2-yl]-N-(2-methoxyethyl)acetamide
CID 54638382

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylcarbamoylamino)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(cyclohexylcarbamoylamino)-N-(2-methoxyethyl)acetamide (CID 47122602) is 2-(cyclohexylcarbamoylamino)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(cyclohexylcarbamoylamino)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(cyclohexylcarbamoylamino)-N-(2-methoxyethyl)acetamide is COCCNC(=O)CNC(=O)NC1CCCCC1.
What is the InChIKey of 2-(cyclohexylcarbamoylamino)-N-(2-methoxyethyl)acetamide?
The InChIKey is UTGOOEQULMTABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-18-8-7-13-11(16)9-14-12(17)15-10-5-3-2-4-6-10/h10H,2-9H2,1H3,(H,13,16)(H2,14,15,17).
What are the key properties of 2-(cyclohexylcarbamoylamino)-N-(2-methoxyethyl)acetamide?
2-(cyclohexylcarbamoylamino)-N-(2-methoxyethyl)acetamide has a molecular weight of 257.33 g/mol, XLogP of 0.38, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylcarbamoylamino)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 47122602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).