(4S)-4-(3,4-dichlorophenyl)-N-methoxy-N-methylhept-6-enamide

C15H19Cl2NO2 — CID 18392766

IUPAC(4S)-4-(3,4-dichlorophenyl)-N-methoxy-N-methylhept-6-enamide
SMILESC=CC[C@H](CCC(=O)N(C)OC)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H19Cl2NO2/c1-4-5-11(7-9-15(19)18(2)20-3)12-6-8-13(16)14(17)10-12/h4,6,8,10-11H,1,5,7,9H2,2-3H3/t11-/m1/s1
InChIKeyYUXFVAZIMBXONB-LLVKDONJSA-N
MW316.23 g/mol
LogP4.45
Rot. Bonds7

About (4S)-4-(3,4-dichlorophenyl)-N-methoxy-N-methylhept-6-enamide

(4S)-4-(3,4-dichlorophenyl)-N-methoxy-N-methylhept-6-enamide (PubChem CID 18392766) has the molecular formula C15H19Cl2NO2 and a molecular weight of 316.23 g/mol. Its IUPAC name is (4S)-4-(3,4-dichlorophenyl)-N-methoxy-N-methylhept-6-enamide.

Molecular Properties

Compound Name(4S)-4-(3,4-dichlorophenyl)-N-methoxy-N-methylhept-6-enamide
PubChem CID18392766
Molecular FormulaC15H19Cl2NO2
Molecular Weight316.23 g/mol
Exact Mass315.08
IUPAC Name(4S)-4-(3,4-dichlorophenyl)-N-methoxy-N-methylhept-6-enamide
SMILESC=CC[C@H](CCC(=O)N(C)OC)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H19Cl2NO2/c1-4-5-11(7-9-15(19)18(2)20-3)12-6-8-13(16)14(17)10-12/h4,6,8,10-11H,1,5,7,9H2,2-3H3/t11-/m1/s1
InChIKeyYUXFVAZIMBXONB-LLVKDONJSA-N
XLogP4.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3,4-dichlorophenyl)-N-methoxy-N-methylhept-6-enamide?
The IUPAC name of (4S)-4-(3,4-dichlorophenyl)-N-methoxy-N-methylhept-6-enamide (CID 18392766) is (4S)-4-(3,4-dichlorophenyl)-N-methoxy-N-methylhept-6-enamide.
What is the SMILES notation for (4S)-4-(3,4-dichlorophenyl)-N-methoxy-N-methylhept-6-enamide?
The canonical SMILES for (4S)-4-(3,4-dichlorophenyl)-N-methoxy-N-methylhept-6-enamide is C=CC[C@H](CCC(=O)N(C)OC)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (4S)-4-(3,4-dichlorophenyl)-N-methoxy-N-methylhept-6-enamide?
The InChIKey is YUXFVAZIMBXONB-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19Cl2NO2/c1-4-5-11(7-9-15(19)18(2)20-3)12-6-8-13(16)14(17)10-12/h4,6,8,10-11H,1,5,7,9H2,2-3H3/t11-/m1/s1.
What are the key properties of (4S)-4-(3,4-dichlorophenyl)-N-methoxy-N-methylhept-6-enamide?
(4S)-4-(3,4-dichlorophenyl)-N-methoxy-N-methylhept-6-enamide has a molecular weight of 316.23 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3,4-dichlorophenyl)-N-methoxy-N-methylhept-6-enamide is sourced from PubChem (CID 18392766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).