ethyl 2-[2-methoxyethyl(prop-2-enyl)carbamoyl]-3,3-dimethylbutanoate

C15H27NO4 — CID 103339953

IUPACethyl 2-[2-methoxyethyl(prop-2-enyl)carbamoyl]-3,3-dimethylbutanoate
SMILESC=CCN(CCOC)C(=O)C(C(=O)OCC)C(C)(C)C
InChIInChI=1S/C15H27NO4/c1-7-9-16(10-11-19-6)13(17)12(15(3,4)5)14(18)20-8-2/h7,12H,1,8-11H2,2-6H3
InChIKeyNFEWZRNYNIODEG-UHFFFAOYSA-N
MW285.38 g/mol
LogP1.87
Rot. Bonds8

About ethyl 2-[2-methoxyethyl(prop-2-enyl)carbamoyl]-3,3-dimethylbutanoate

ethyl 2-[2-methoxyethyl(prop-2-enyl)carbamoyl]-3,3-dimethylbutanoate (PubChem CID 103339953) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is ethyl 2-[2-methoxyethyl(prop-2-enyl)carbamoyl]-3,3-dimethylbutanoate.

Molecular Properties

Compound Nameethyl 2-[2-methoxyethyl(prop-2-enyl)carbamoyl]-3,3-dimethylbutanoate
PubChem CID103339953
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Nameethyl 2-[2-methoxyethyl(prop-2-enyl)carbamoyl]-3,3-dimethylbutanoate
SMILESC=CCN(CCOC)C(=O)C(C(=O)OCC)C(C)(C)C
InChIInChI=1S/C15H27NO4/c1-7-9-16(10-11-19-6)13(17)12(15(3,4)5)14(18)20-8-2/h7,12H,1,8-11H2,2-6H3
InChIKeyNFEWZRNYNIODEG-UHFFFAOYSA-N
XLogP1.87
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(2-methoxyethyl)-4,4-dimethyl-N-prop-2-enylpentanamide
CID 103338776
2,2-difluoro-N-(2-methoxyethyl)-N-prop-2-enylacetamide
CID 103516152
3-amino-N-(2-methoxyethyl)-3-methyl-N-prop-2-enylbutanamide
CID 103338897
2-amino-N-(2-methoxyethyl)-2-methyl-N-prop-2-enylpropanamide
CID 103338789
(2R)-2-amino-N-(2-methoxyethyl)-4-methyl-N-prop-2-enylpentanamide
CID 103338814
2-amino-3,3-dimethyl-N-prop-2-enyl-N-propylbutanamide
CID 112555851
5-[2-methoxyethyl(prop-2-enyl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 103338494
N-(2-methoxyethyl)-2-methyl-3-(methylamino)-N-prop-2-enylpropanamide
CID 103338873
N-(2-methoxyethyl)-3-oxo-N-prop-2-enylbutanamide
CID 103338945
2-(ethylamino)-N-(2-methoxyethyl)-N-prop-2-enylacetamide
CID 103338694
3-ethyl-1-(2-methoxyethyl)-1-prop-2-enylurea
CID 103338592
4-chloro-N-(2-methoxyethyl)-N-prop-2-enylbutanamide
CID 103338580

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-methoxyethyl(prop-2-enyl)carbamoyl]-3,3-dimethylbutanoate?
The IUPAC name of ethyl 2-[2-methoxyethyl(prop-2-enyl)carbamoyl]-3,3-dimethylbutanoate (CID 103339953) is ethyl 2-[2-methoxyethyl(prop-2-enyl)carbamoyl]-3,3-dimethylbutanoate.
What is the SMILES notation for ethyl 2-[2-methoxyethyl(prop-2-enyl)carbamoyl]-3,3-dimethylbutanoate?
The canonical SMILES for ethyl 2-[2-methoxyethyl(prop-2-enyl)carbamoyl]-3,3-dimethylbutanoate is C=CCN(CCOC)C(=O)C(C(=O)OCC)C(C)(C)C.
What is the InChIKey of ethyl 2-[2-methoxyethyl(prop-2-enyl)carbamoyl]-3,3-dimethylbutanoate?
The InChIKey is NFEWZRNYNIODEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-7-9-16(10-11-19-6)13(17)12(15(3,4)5)14(18)20-8-2/h7,12H,1,8-11H2,2-6H3.
What are the key properties of ethyl 2-[2-methoxyethyl(prop-2-enyl)carbamoyl]-3,3-dimethylbutanoate?
ethyl 2-[2-methoxyethyl(prop-2-enyl)carbamoyl]-3,3-dimethylbutanoate has a molecular weight of 285.38 g/mol, XLogP of 1.87, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-methoxyethyl(prop-2-enyl)carbamoyl]-3,3-dimethylbutanoate is sourced from PubChem (CID 103339953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).