N-[3-(4-chlorophenoxy)propyl]-N-prop-2-enylacetamide

C14H18ClNO2 — CID 84571935

IUPACN-[3-(4-chlorophenoxy)propyl]-N-prop-2-enylacetamide
SMILESC=CCN(CCCOc1ccc(Cl)cc1)C(C)=O
InChIInChI=1S/C14H18ClNO2/c1-3-9-16(12(2)17)10-4-11-18-14-7-5-13(15)6-8-14/h3,5-8H,1,4,9-11H2,2H3
InChIKeyUQHHGTMJIRXKPJ-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.14
Rot. Bonds7

About N-[3-(4-chlorophenoxy)propyl]-N-prop-2-enylacetamide

N-[3-(4-chlorophenoxy)propyl]-N-prop-2-enylacetamide (PubChem CID 84571935) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is N-[3-(4-chlorophenoxy)propyl]-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenoxy)propyl]-N-prop-2-enylacetamide
PubChem CID84571935
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC NameN-[3-(4-chlorophenoxy)propyl]-N-prop-2-enylacetamide
SMILESC=CCN(CCCOc1ccc(Cl)cc1)C(C)=O
InChIInChI=1S/C14H18ClNO2/c1-3-9-16(12(2)17)10-4-11-18-14-7-5-13(15)6-8-14/h3,5-8H,1,4,9-11H2,2H3
InChIKeyUQHHGTMJIRXKPJ-UHFFFAOYSA-N
XLogP3.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenoxy)propyl]-N-prop-2-enylacetamide?
The IUPAC name of N-[3-(4-chlorophenoxy)propyl]-N-prop-2-enylacetamide (CID 84571935) is N-[3-(4-chlorophenoxy)propyl]-N-prop-2-enylacetamide.
What is the SMILES notation for N-[3-(4-chlorophenoxy)propyl]-N-prop-2-enylacetamide?
The canonical SMILES for N-[3-(4-chlorophenoxy)propyl]-N-prop-2-enylacetamide is C=CCN(CCCOc1ccc(Cl)cc1)C(C)=O.
What is the InChIKey of N-[3-(4-chlorophenoxy)propyl]-N-prop-2-enylacetamide?
The InChIKey is UQHHGTMJIRXKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-3-9-16(12(2)17)10-4-11-18-14-7-5-13(15)6-8-14/h3,5-8H,1,4,9-11H2,2H3.
What are the key properties of N-[3-(4-chlorophenoxy)propyl]-N-prop-2-enylacetamide?
N-[3-(4-chlorophenoxy)propyl]-N-prop-2-enylacetamide has a molecular weight of 267.76 g/mol, XLogP of 3.14, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenoxy)propyl]-N-prop-2-enylacetamide is sourced from PubChem (CID 84571935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).