4-chloro-N-(2-methoxyethyl)-N-prop-2-enylbutanamide

C10H18ClNO2 — CID 103338580

IUPAC4-chloro-N-(2-methoxyethyl)-N-prop-2-enylbutanamide
SMILESC=CCN(CCOC)C(=O)CCCCl
InChIInChI=1S/C10H18ClNO2/c1-3-7-12(8-9-14-2)10(13)5-4-6-11/h3H,1,4-9H2,2H3
InChIKeyDNWRIVLCOFQSEK-UHFFFAOYSA-N
MW219.71 g/mol
LogP1.67
Rot. Bonds8

About 4-chloro-N-(2-methoxyethyl)-N-prop-2-enylbutanamide

4-chloro-N-(2-methoxyethyl)-N-prop-2-enylbutanamide (PubChem CID 103338580) has the molecular formula C10H18ClNO2 and a molecular weight of 219.71 g/mol. Its IUPAC name is 4-chloro-N-(2-methoxyethyl)-N-prop-2-enylbutanamide.

Molecular Properties

Compound Name4-chloro-N-(2-methoxyethyl)-N-prop-2-enylbutanamide
PubChem CID103338580
Molecular FormulaC10H18ClNO2
Molecular Weight219.71 g/mol
Exact Mass219.10
IUPAC Name4-chloro-N-(2-methoxyethyl)-N-prop-2-enylbutanamide
SMILESC=CCN(CCOC)C(=O)CCCCl
InChIInChI=1S/C10H18ClNO2/c1-3-7-12(8-9-14-2)10(13)5-4-6-11/h3H,1,4-9H2,2H3
InChIKeyDNWRIVLCOFQSEK-UHFFFAOYSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(2-methoxyethyl)-N-prop-2-enylpentanamide
CID 107910751
N-(2-methoxyethyl)-3-oxo-N-prop-2-enylbutanamide
CID 103338945
2-(ethylamino)-N-(2-methoxyethyl)-N-prop-2-enylacetamide
CID 103338694
3-amino-N-(2-methoxyethyl)-3-methyl-N-prop-2-enylbutanamide
CID 103338897
3-(2-aminophenoxy)-N-(2-methoxyethyl)-N-prop-2-enylpropanamide
CID 103338330
5-[2-methoxyethyl(prop-2-enyl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 103338494
2,2-difluoro-N-(2-methoxyethyl)-N-prop-2-enylacetamide
CID 103516152
4-ethoxy-N-(2-hydroxyethyl)-N-prop-2-enylbutanamide
CID 115775753
4-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]-4-oxobutanoic acid
CID 103339539
3-amino-N-(2-methoxyethyl)-4,4-dimethyl-N-prop-2-enylpentanamide
CID 103338776
5-chloro-N-(2-methoxyethyl)-N-methylpentanamide
CID 61040707
2-amino-N-(2-methoxyethyl)-2-methyl-N-prop-2-enylpropanamide
CID 103338789

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methoxyethyl)-N-prop-2-enylbutanamide?
The IUPAC name of 4-chloro-N-(2-methoxyethyl)-N-prop-2-enylbutanamide (CID 103338580) is 4-chloro-N-(2-methoxyethyl)-N-prop-2-enylbutanamide.
What is the SMILES notation for 4-chloro-N-(2-methoxyethyl)-N-prop-2-enylbutanamide?
The canonical SMILES for 4-chloro-N-(2-methoxyethyl)-N-prop-2-enylbutanamide is C=CCN(CCOC)C(=O)CCCCl.
What is the InChIKey of 4-chloro-N-(2-methoxyethyl)-N-prop-2-enylbutanamide?
The InChIKey is DNWRIVLCOFQSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO2/c1-3-7-12(8-9-14-2)10(13)5-4-6-11/h3H,1,4-9H2,2H3.
What are the key properties of 4-chloro-N-(2-methoxyethyl)-N-prop-2-enylbutanamide?
4-chloro-N-(2-methoxyethyl)-N-prop-2-enylbutanamide has a molecular weight of 219.71 g/mol, XLogP of 1.67, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methoxyethyl)-N-prop-2-enylbutanamide is sourced from PubChem (CID 103338580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).