4-[[2-(2-aminoethoxy)acetyl]amino]cyclohexane-1-carboxamide

C11H21N3O3 — CID 79473987

IUPAC4-[[2-(2-aminoethoxy)acetyl]amino]cyclohexane-1-carboxamide
SMILESNCCOCC(=O)NC1CCC(C(N)=O)CC1
InChIInChI=1S/C11H21N3O3/c12-5-6-17-7-10(15)14-9-3-1-8(2-4-9)11(13)16/h8-9H,1-7,12H2,(H2,13,16)(H,14,15)
InChIKeyAARCGZKNHFIYIE-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.88
Rot. Bonds6

About 4-[[2-(2-aminoethoxy)acetyl]amino]cyclohexane-1-carboxamide

4-[[2-(2-aminoethoxy)acetyl]amino]cyclohexane-1-carboxamide (PubChem CID 79473987) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-[[2-(2-aminoethoxy)acetyl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[2-(2-aminoethoxy)acetyl]amino]cyclohexane-1-carboxamide
PubChem CID79473987
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name4-[[2-(2-aminoethoxy)acetyl]amino]cyclohexane-1-carboxamide
SMILESNCCOCC(=O)NC1CCC(C(N)=O)CC1
InChIInChI=1S/C11H21N3O3/c12-5-6-17-7-10(15)14-9-3-1-8(2-4-9)11(13)16/h8-9H,1-7,12H2,(H2,13,16)(H,14,15)
InChIKeyAARCGZKNHFIYIE-UHFFFAOYSA-N
XLogP-0.88
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(2-hydroxyethoxy)acetyl]amino]cyclohexane-1-carboxylic acid
CID 91018555
4-[[2-(cyclopropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxamide
CID 54914189
2-(2-aminoethoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 79473115
2-[[2-(2-aminoethoxy)acetyl]-methylamino]-N-cyclopropylacetamide
CID 79473534
2-(2-aminoethoxy)-N-(thian-3-yl)acetamide
CID 115740727
4-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxamide
CID 43698392
2-(2-aminoethoxy)-1-cyclopropylethanone
CID 116591061
4-(5-bromopentanoylamino)cyclohexane-1-carboxamide
CID 107908592
4-[(6-amino-4,4-dimethylhexanoyl)amino]cyclohexane-1-carboxamide
CID 65290886
2-[2-(2-amino-2-oxoethoxy)ethylamino]-N-cyclopropylacetamide
CID 106237778
ethyl 4-[(4-carbamoylcyclohexyl)amino]-4-oxobutanoate
CID 60728078
N-(4-aminocyclohexyl)-2-pentoxyacetamide
CID 119474713

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-aminoethoxy)acetyl]amino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[[2-(2-aminoethoxy)acetyl]amino]cyclohexane-1-carboxamide (CID 79473987) is 4-[[2-(2-aminoethoxy)acetyl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[2-(2-aminoethoxy)acetyl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[[2-(2-aminoethoxy)acetyl]amino]cyclohexane-1-carboxamide is NCCOCC(=O)NC1CCC(C(N)=O)CC1.
What is the InChIKey of 4-[[2-(2-aminoethoxy)acetyl]amino]cyclohexane-1-carboxamide?
The InChIKey is AARCGZKNHFIYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c12-5-6-17-7-10(15)14-9-3-1-8(2-4-9)11(13)16/h8-9H,1-7,12H2,(H2,13,16)(H,14,15).
What are the key properties of 4-[[2-(2-aminoethoxy)acetyl]amino]cyclohexane-1-carboxamide?
4-[[2-(2-aminoethoxy)acetyl]amino]cyclohexane-1-carboxamide has a molecular weight of 243.31 g/mol, XLogP of -0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-aminoethoxy)acetyl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 79473987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).