N-(2-aminoethyl)-2-[[2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyacetyl]amino]acetamide

C15H27N3O3 — CID 156533045

IUPACN-(2-aminoethyl)-2-[[2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyacetyl]amino]acetamide
SMILESC/C1=C/C(OCC(=O)NCC(=O)NCCN)CCCCC1
InChIInChI=1S/C15H27N3O3/c1-12-5-3-2-4-6-13(9-12)21-11-15(20)18-10-14(19)17-8-7-16/h9,13H,2-8,10-11,16H2,1H3,(H,17,19)(H,18,20)/b12-9-
InChIKeyCJKNPJJBGKBCQY-XFXZXTDPSA-N
MW297.40 g/mol
LogP0.47
Rot. Bonds7

About N-(2-aminoethyl)-2-[[2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyacetyl]amino]acetamide

N-(2-aminoethyl)-2-[[2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyacetyl]amino]acetamide (PubChem CID 156533045) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[[2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyacetyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[[2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyacetyl]amino]acetamide
PubChem CID156533045
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC NameN-(2-aminoethyl)-2-[[2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyacetyl]amino]acetamide
SMILESC/C1=C/C(OCC(=O)NCC(=O)NCCN)CCCCC1
InChIInChI=1S/C15H27N3O3/c1-12-5-3-2-4-6-13(9-12)21-11-15(20)18-10-14(19)17-8-7-16/h9,13H,2-8,10-11,16H2,1H3,(H,17,19)(H,18,20)/b12-9-
InChIKeyCJKNPJJBGKBCQY-XFXZXTDPSA-N
XLogP0.47
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-3-[[2-(3-methylidenecyclooctyl)oxyacetyl]amino]propanamide
CID 167269241
2-[(2Z)-cyclooct-2-en-1-yl]oxy-N-[2-[2-(methylamino)ethoxy]ethyl]acetamide
CID 156533034
N-(2-aminoethyl)-2-cyclooct-4-en-1-yloxyacetamide
CID 123295112
2-[[2-[(2-cyclooctyloxyacetyl)amino]acetyl]amino]acetic acid
CID 154992981
N-(2-aminoethyl)-2-piperidin-4-yloxyacetamide
CID 63876226
2-[[2-[[2-[[2-[[2-(4,5,6,7,8,9-hexahydro-2H-cycloocta[d]triazol-4-yloxy)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetamide
CID 170213632
[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] (2S)-2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate
CID 8847468
2-[(2Z)-cyclooct-2-en-1-yl]oxy-N-methylacetamide
CID 167046429
N-(3-cyclohexyloxypropyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 40659124
N-[2-[2-(methylamino)ethoxy]ethyl]-2-(2-methylcyclooct-2-en-1-yl)oxyacetamide
CID 174004773
N-(2-aminoethyl)-2-[cyclopentyl(methyl)amino]acetamide
CID 61207694
N-(2-aminoethyl)-2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]benzamide;hydrochloride
CID 120604302

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[[2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyacetyl]amino]acetamide?
The IUPAC name of N-(2-aminoethyl)-2-[[2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyacetyl]amino]acetamide (CID 156533045) is N-(2-aminoethyl)-2-[[2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyacetyl]amino]acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-[[2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyacetyl]amino]acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-[[2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyacetyl]amino]acetamide is C/C1=C/C(OCC(=O)NCC(=O)NCCN)CCCCC1.
What is the InChIKey of N-(2-aminoethyl)-2-[[2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyacetyl]amino]acetamide?
The InChIKey is CJKNPJJBGKBCQY-XFXZXTDPSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-12-5-3-2-4-6-13(9-12)21-11-15(20)18-10-14(19)17-8-7-16/h9,13H,2-8,10-11,16H2,1H3,(H,17,19)(H,18,20)/b12-9-.
What are the key properties of N-(2-aminoethyl)-2-[[2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyacetyl]amino]acetamide?
N-(2-aminoethyl)-2-[[2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyacetyl]amino]acetamide has a molecular weight of 297.40 g/mol, XLogP of 0.47, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[[2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyacetyl]amino]acetamide is sourced from PubChem (CID 156533045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).