2,2-dichloro-N-(diethoxymethyl)-N-prop-2-enylacetamide

C10H17Cl2NO3 — CID 54249446

IUPAC2,2-dichloro-N-(diethoxymethyl)-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)C(Cl)Cl)C(OCC)OCC
InChIInChI=1S/C10H17Cl2NO3/c1-4-7-13(9(14)8(11)12)10(15-5-2)16-6-3/h4,8,10H,1,5-7H2,2-3H3
InChIKeyQVSJNJIHMYMQNY-UHFFFAOYSA-N
MW270.16 g/mol
LogP2.16
Rot. Bonds8

About 2,2-dichloro-N-(diethoxymethyl)-N-prop-2-enylacetamide

2,2-dichloro-N-(diethoxymethyl)-N-prop-2-enylacetamide (PubChem CID 54249446) has the molecular formula C10H17Cl2NO3 and a molecular weight of 270.16 g/mol. Its IUPAC name is 2,2-dichloro-N-(diethoxymethyl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2,2-dichloro-N-(diethoxymethyl)-N-prop-2-enylacetamide
PubChem CID54249446
Molecular FormulaC10H17Cl2NO3
Molecular Weight270.16 g/mol
Exact Mass269.06
IUPAC Name2,2-dichloro-N-(diethoxymethyl)-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)C(Cl)Cl)C(OCC)OCC
InChIInChI=1S/C10H17Cl2NO3/c1-4-7-13(9(14)8(11)12)10(15-5-2)16-6-3/h4,8,10H,1,5-7H2,2-3H3
InChIKeyQVSJNJIHMYMQNY-UHFFFAOYSA-N
XLogP2.16
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 52.16
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,2-dichloro-N-ethyl-N-prop-2-enylacetamide
CID 21403921
2,2-dichloro-N-prop-2-enyl-N-propylacetamide
CID 21403948
2-(methylamino)-N-propan-2-yl-N-prop-2-enylpropanamide
CID 62638239
6-amino-2-methyl-N-propan-2-yl-N-prop-2-enylheptanamide
CID 65291847
tert-butyl N-(1-chlorobut-3-enyl)-N-prop-2-enylcarbamate
CID 156518979
5-ethoxy-6-methylhept-1-en-4-one
CID 116708606
1-ethoxyprop-2-enyl(ethyl)carbamic acid
CID 87887808
1-aminopropan-2-yl(prop-2-enyl)carbamic acid
CID 122620115
(2S)-2-[2-methylpropanoyl(prop-2-enyl)amino]propanoic acid
CID 58153238
3,3-diethoxyprop-1-ene;prop-2-enoic acid
CID 158513220
[3-(4-chlorophenyl)-1-[2,2-diethoxyethyl(propan-2-yl)amino]-1-oxopropan-2-yl]-prop-2-enylcarbamic acid
CID 67339533
tert-butyl N-butan-2-yl-N-prop-2-enylcarbamate
CID 10375927

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(diethoxymethyl)-N-prop-2-enylacetamide?
The IUPAC name of 2,2-dichloro-N-(diethoxymethyl)-N-prop-2-enylacetamide (CID 54249446) is 2,2-dichloro-N-(diethoxymethyl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2,2-dichloro-N-(diethoxymethyl)-N-prop-2-enylacetamide?
The canonical SMILES for 2,2-dichloro-N-(diethoxymethyl)-N-prop-2-enylacetamide is C=CCN(C(=O)C(Cl)Cl)C(OCC)OCC.
What is the InChIKey of 2,2-dichloro-N-(diethoxymethyl)-N-prop-2-enylacetamide?
The InChIKey is QVSJNJIHMYMQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Cl2NO3/c1-4-7-13(9(14)8(11)12)10(15-5-2)16-6-3/h4,8,10H,1,5-7H2,2-3H3.
What are the key properties of 2,2-dichloro-N-(diethoxymethyl)-N-prop-2-enylacetamide?
2,2-dichloro-N-(diethoxymethyl)-N-prop-2-enylacetamide has a molecular weight of 270.16 g/mol, XLogP of 2.16, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(diethoxymethyl)-N-prop-2-enylacetamide is sourced from PubChem (CID 54249446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).