ethyl 2-[(2-cycloheptylacetyl)-prop-2-enylamino]acetate

C16H27NO3 — CID 115681468

IUPACethyl 2-[(2-cycloheptylacetyl)-prop-2-enylamino]acetate
SMILESC=CCN(CC(=O)OCC)C(=O)CC1CCCCCC1
InChIInChI=1S/C16H27NO3/c1-3-11-17(13-16(19)20-4-2)15(18)12-14-9-7-5-6-8-10-14/h3,14H,1,4-13H2,2H3
InChIKeyRCNXGCNGEGGAFQ-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.92
Rot. Bonds7

About ethyl 2-[(2-cycloheptylacetyl)-prop-2-enylamino]acetate

ethyl 2-[(2-cycloheptylacetyl)-prop-2-enylamino]acetate (PubChem CID 115681468) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is ethyl 2-[(2-cycloheptylacetyl)-prop-2-enylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-cycloheptylacetyl)-prop-2-enylamino]acetate
PubChem CID115681468
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Nameethyl 2-[(2-cycloheptylacetyl)-prop-2-enylamino]acetate
SMILESC=CCN(CC(=O)OCC)C(=O)CC1CCCCCC1
InChIInChI=1S/C16H27NO3/c1-3-11-17(13-16(19)20-4-2)15(18)12-14-9-7-5-6-8-10-14/h3,14H,1,4-13H2,2H3
InChIKeyRCNXGCNGEGGAFQ-UHFFFAOYSA-N
XLogP2.92
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[3-cyclopentylpropanoyl(prop-2-enyl)amino]acetate
CID 78978796
ethyl 2-[(2-cyclopentylacetyl)-propylamino]acetate
CID 54899097
ethyl 2-[cyclopentylcarbamoyl(prop-2-enyl)amino]acetate
CID 113331353
ethyl 2-[2-cyclopropylpropanoyl(prop-2-enyl)amino]acetate
CID 79506559
ethyl 2-[(1-methylpyrrolidine-3-carbonyl)-prop-2-enylamino]acetate
CID 115538849
ethyl 2-[3-methylsulfonylpropanoyl(prop-2-enyl)amino]acetate
CID 78978338
2-[[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]-prop-2-enylamino]acetic acid
CID 79275776
ethyl 2-[but-2-ynoyl(prop-2-enyl)amino]acetate
CID 107262087
ethyl 2-[benzyl-(2-cyclobutylacetyl)amino]acetate
CID 103707142
ethyl acetate;ethyl 2-cyclohexylacetate
CID 66912131
ethyl 2-[4-methoxypentanoyl(prop-2-enyl)amino]acetate
CID 113374924
ethyl 2-(4-prop-2-enylcyclohexyl)acetate
CID 89472943

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-cycloheptylacetyl)-prop-2-enylamino]acetate?
The IUPAC name of ethyl 2-[(2-cycloheptylacetyl)-prop-2-enylamino]acetate (CID 115681468) is ethyl 2-[(2-cycloheptylacetyl)-prop-2-enylamino]acetate.
What is the SMILES notation for ethyl 2-[(2-cycloheptylacetyl)-prop-2-enylamino]acetate?
The canonical SMILES for ethyl 2-[(2-cycloheptylacetyl)-prop-2-enylamino]acetate is C=CCN(CC(=O)OCC)C(=O)CC1CCCCCC1.
What is the InChIKey of ethyl 2-[(2-cycloheptylacetyl)-prop-2-enylamino]acetate?
The InChIKey is RCNXGCNGEGGAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-3-11-17(13-16(19)20-4-2)15(18)12-14-9-7-5-6-8-10-14/h3,14H,1,4-13H2,2H3.
What are the key properties of ethyl 2-[(2-cycloheptylacetyl)-prop-2-enylamino]acetate?
ethyl 2-[(2-cycloheptylacetyl)-prop-2-enylamino]acetate has a molecular weight of 281.40 g/mol, XLogP of 2.92, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-cycloheptylacetyl)-prop-2-enylamino]acetate is sourced from PubChem (CID 115681468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).