2-chloro-N-(ethoxymethyl)-N-[1-(furan-2-yl)-2-methylprop-1-enyl]acetamide

C13H18ClNO3 — CID 15156068

IUPAC2-chloro-N-(ethoxymethyl)-N-[1-(furan-2-yl)-2-methylprop-1-enyl]acetamide
SMILESCCOCN(C(=O)CCl)C(=C(C)C)c1ccco1
InChIInChI=1S/C13H18ClNO3/c1-4-17-9-15(12(16)8-14)13(10(2)3)11-6-5-7-18-11/h5-7H,4,8-9H2,1-3H3
InChIKeyFEILONOKZQPJEL-UHFFFAOYSA-N
MW271.74 g/mol
LogP3.09
Rot. Bonds6

About 2-chloro-N-(ethoxymethyl)-N-[1-(furan-2-yl)-2-methylprop-1-enyl]acetamide

2-chloro-N-(ethoxymethyl)-N-[1-(furan-2-yl)-2-methylprop-1-enyl]acetamide (PubChem CID 15156068) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is 2-chloro-N-(ethoxymethyl)-N-[1-(furan-2-yl)-2-methylprop-1-enyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-(ethoxymethyl)-N-[1-(furan-2-yl)-2-methylprop-1-enyl]acetamide
PubChem CID15156068
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Name2-chloro-N-(ethoxymethyl)-N-[1-(furan-2-yl)-2-methylprop-1-enyl]acetamide
SMILESCCOCN(C(=O)CCl)C(=C(C)C)c1ccco1
InChIInChI=1S/C13H18ClNO3/c1-4-17-9-15(12(16)8-14)13(10(2)3)11-6-5-7-18-11/h5-7H,4,8-9H2,1-3H3
InChIKeyFEILONOKZQPJEL-UHFFFAOYSA-N
XLogP3.09
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-1-(furan-2-yl)butan-1-one
CID 105099293
2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-prop-2-enylacetamide
CID 14326547
N-[2-[[4-(ethoxymethyl)phenyl]methylamino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 43062380
ethyl 2-(furan-2-carbonyl)-3-oxobutanoate
CID 2759235
ethyl 3-(furan-2-yl)-3-oxopropanoate
CID 2759240
diethyl 2-amino-2-(furan-2-carbonyl)propanedioate
CID 174833860
N,N-bis(2-chloroethyl)furan-2-carboxamide
CID 15923
N-benzyl-2-ethoxy-N-(furan-2-ylmethyl)acetamide
CID 52556901
2-ethoxyethyl 4-(furan-2-carbonylamino)butanoate
CID 86914497
sodium;ethyl 3-(furan-2-yl)-3-oxopropanoate;hydride
CID 175451832
ethane;1-(furan-2-yl)butane-1,3-dione
CID 145463409
2-ethyl-1-(furan-2-yl)butan-1-one
CID 14709528

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(ethoxymethyl)-N-[1-(furan-2-yl)-2-methylprop-1-enyl]acetamide?
The IUPAC name of 2-chloro-N-(ethoxymethyl)-N-[1-(furan-2-yl)-2-methylprop-1-enyl]acetamide (CID 15156068) is 2-chloro-N-(ethoxymethyl)-N-[1-(furan-2-yl)-2-methylprop-1-enyl]acetamide.
What is the SMILES notation for 2-chloro-N-(ethoxymethyl)-N-[1-(furan-2-yl)-2-methylprop-1-enyl]acetamide?
The canonical SMILES for 2-chloro-N-(ethoxymethyl)-N-[1-(furan-2-yl)-2-methylprop-1-enyl]acetamide is CCOCN(C(=O)CCl)C(=C(C)C)c1ccco1.
What is the InChIKey of 2-chloro-N-(ethoxymethyl)-N-[1-(furan-2-yl)-2-methylprop-1-enyl]acetamide?
The InChIKey is FEILONOKZQPJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-4-17-9-15(12(16)8-14)13(10(2)3)11-6-5-7-18-11/h5-7H,4,8-9H2,1-3H3.
What are the key properties of 2-chloro-N-(ethoxymethyl)-N-[1-(furan-2-yl)-2-methylprop-1-enyl]acetamide?
2-chloro-N-(ethoxymethyl)-N-[1-(furan-2-yl)-2-methylprop-1-enyl]acetamide has a molecular weight of 271.74 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(ethoxymethyl)-N-[1-(furan-2-yl)-2-methylprop-1-enyl]acetamide is sourced from PubChem (CID 15156068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).